Startseite Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
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Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6

  • Assem Barakat EMAIL logo , Hazem A. Ghabbour , Abdullah Mohammed Al-Majid , Ching-Kheng Quah und Hoong-Kun Fun
Veröffentlicht/Copyright: 6. Februar 2016
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 231 Heft 1

Abstract

C25H32Cl2F3N5O6, orthorhombic, P212121 (no. 19) a = 11.0768(4) Å, b = 15.6620(5) Å, c = 16.6830(5) Å, V = 2894.25(16) Å3, Z = 4, Rgt(F) = 0.0509, wR(F2) = 0.1498, T = 100 K.

CCDC no.:: 1447688

The crystal structure is shown in the figure. Tables 1–3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.

Table 1

Data collection and handling.

Crystal:Pink, rod, size 0.24×0.34×0.69 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:2.92 cm−1
Diffractometer, scan mode:Bruker APEX-II D8 Venture, φ and ω scans
2θmax:65.26°
N(hkl)measured, N(hkl)unique:93047, 10576
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 9190
N(param)refined:398
Programs:SHELX [12]
Table 2

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

AtomSitexyzUiso
H(2A)4a0.72790.12180.31150.048
H(2B)4a0.86230.15420.29370.048
H(2C)4a0.75980.22110.31850.048
H(4A)4a1.04280.23260.61310.048
H(4B)4a1.00420.30730.55290.048
H(4C)4a1.10610.24030.52720.048
H(7A)4a0.78210.01440.63980.020
H(10A)4a0.55540.06070.85360.091
H(10B)4a0.41980.02550.84970.091
H(10C)4a0.44510.12600.84520.091
H(12A)4a0.30080.05970.51240.050
H(12B)4a0.25620.13180.57360.050
H(12C)4a0.21870.03420.58760.050
H(15A)4a0.8810−0.06350.48960.042
H(16A)4a0.8997−0.20690.45420.045
H(18A)4a0.6115−0.26330.59120.061
H(19A)4a0.5929−0.12010.62560.051
H(5A)4a0.36000.45220.22780.027
H(21A)4a−0.12520.77190.16360.048
H(21B)4a−0.25950.77590.19870.048
H(22A)4a0.59930.59430.27100.070
H(22B)4a0.50530.53740.32050.070
H(22C)4a0.45830.59910.25070.070
H(23A)4a0.55920.51450.15460.036
H(23B)4a0.60630.45260.22440.036
H(24A)4a0.46590.38260.09430.039
H(24B)4a0.35130.34110.13790.039
H(25A)4a0.51540.24580.14250.064
H(25B)4a0.48060.27420.23170.064
H(25C)4a0.59520.31570.18820.064
Table 3

Atomic displacement parameters (Å2).

AtomSitexyzU11U22U33U12U13U23
F(1A)a4a0.681(2)−0.361(2)0.435(2)0.077(6)0.038(6)0.10(1)0.001(4)−0.023(6)−0.036(7)
F(2A)a4a0.874(1)−0.3624(9)0.460(1)0.037(4)0.017(3)0.045(4)0.012(2)−0.001(3)0.000(2)
F(3A)a4a0.747(4)−0.392(1)0.550(2)0.15(1)0.017(3)0.077(9)0.012(7)0.070(8)0.007(4)
F(1B)b4a0.6684(9)−0.3688(7)0.4590(9)0.076(4)0.035(2)0.129(7)0.018(3)−0.066(4)−0.034(4)
F(2B)b4a0.859(1)−0.3588(5)0.4530(5)0.085(4)0.031(2)0.044(2)0.026(2)0.029(3)0.002(2)
F(3B)b4a0.7733(5)−0.3919(5)0.5630(4)0.055(3)0.022(1)0.041(2)0.0053(9)0.009(2)0.0066(9)
O(1)4a0.6762(1)0.04905(7)0.42100(6)0.0242(5)0.0249(5)0.0184(4)−0.0059(4)−0.0001(4)−0.0021(4)
O(2)4a0.9561(1)0.26080(8)0.40294(8)0.0316(6)0.0222(5)0.0305(6)−0.0058(4)0.0068(5)0.0057(4)
O(3)4a0.9136(1)0.12902(9)0.64371(7)0.0293(6)0.0335(6)0.0232(5)−0.0113(5)−0.0061(4)0.0027(4)
O(4)4a0.6846(1)0.0423(1)0.75685(8)0.0265(6)0.066(1)0.0187(5)−0.0060(6)0.0006(4)−0.0025(6)
O(5)4a0.2842(1)0.0962(1)0.7278(1)0.0250(6)0.0536(9)0.057(1)−0.0012(6)0.0171(6)−0.0154(8)
O(6)4a0.4942(1)0.03307(8)0.50329(7)0.0226(5)0.0317(6)0.0217(5)−0.0034(4)−0.0025(4)0.0007(4)
N(1)4a0.8216(1)0.15118(8)0.41183(8)0.0274(6)0.0191(5)0.0175(5)−0.0032(4)0.0028(5)0.0020(4)
N(2)4a0.9373(1)0.19206(8)0.52214(8)0.0238(6)0.0208(5)0.0235(6)−0.0072(4)0.0014(4)0.0008(4)
N(3)4a0.4839(1)0.0639(1)0.74229(9)0.0246(6)0.0472(9)0.0235(6)−0.0067(6)0.0092(5)−0.0116(6)
N(4)4a0.3913(1)0.05934(9)0.61702(9)0.0160(5)0.0214(5)0.0332(7)−0.0012(4)0.0033(5)−0.0009(5)
C(1)4a0.7589(1)0.09136(8)0.45723(8)0.0204(6)0.0165(5)0.0181(5)−0.0004(4)0.0026(5)−0.0005(4)
C(2)4a0.7903(2)0.1631(1)0.3267(1)0.044(1)0.0339(8)0.0180(7)−0.0069(7)0.0003(6)0.0053(6)
C(3)4a0.9083(1)0.20448(9)0.44287(9)0.0234(6)0.0164(5)0.0251(6)0.0007(5)0.0049(5)0.0007(5)
C(4)4a1.0303(2)0.2477(1)0.5567(1)0.0300(8)0.0289(8)0.0374(9)−0.0141(6)−0.0028(7)0.0006(7)
C(5)4a0.8801(1)0.13240(9)0.57204(9)0.0202(6)0.0182(5)0.0215(6)−0.0031(5)0.0010(5)0.0001(5)
C(6)4a0.7884(1)0.08112(8)0.53768(8)0.0168(5)0.0165(5)0.0174(5)−0.0027(4)0.0021(4)−0.0006(4)
C(7)4a0.7289(1)0.01524(8)0.59144(8)0.0168(5)0.0175(5)0.0169(5)−0.0014(4)0.0020(4)0.0001(4)
C(8)4a0.6058(1)0.03886(9)0.62547(8)0.0182(5)0.0172(5)0.0185(6)−0.0018(4)0.0026(4)−0.0017(4)
C(9)4a0.5982(1)0.0483(1)0.71029(9)0.0221(6)0.0296(7)0.0198(6)−0.0048(5)0.0045(5)−0.0030(5)
C(10)4a0.4753(2)0.0695(3)0.8300(1)0.042(1)0.110(2)0.0295(9)−0.016(1)0.0166(9)−0.026(1)
C(11)4a0.3807(2)0.0746(1)0.6979(1)0.0217(6)0.0290(7)0.0372(8)−0.0035(6)0.0099(6)−0.0081(6)
C(12)4a0.2828(2)0.0723(1)0.5687(1)0.0183(6)0.0353(8)0.047(1)0.0019(6)−0.0022(6)0.0013(7)
C(13)4a0.5016(1)0.04370(9)0.58100(9)0.0173(5)0.0154(5)0.0241(6)−0.0020(4)0.0017(5)0.0000(5)
C(14)4a0.7346(1)−0.07684(8)0.56113(8)0.0174(5)0.0169(5)0.0189(5)0.0011(4)0.0020(4)0.0013(4)
C(15)4a0.8252(2)−0.1040(1)0.5104(1)0.0402(9)0.0207(6)0.044(1)0.0022(6)0.0259(8)0.0026(6)
C(16)4a0.8364(2)−0.1896(1)0.4891(1)0.052(1)0.0211(7)0.0399(9)0.0070(7)0.0271(9)0.0025(7)
C(17)4a0.7563(2)−0.24911(9)0.5182(1)0.0282(7)0.0186(6)0.0319(8)0.0051(5)−0.0014(6)−0.0001(5)
C(18)4a0.6664(2)−0.2227(1)0.5697(2)0.0346(9)0.0170(7)0.101(2)−0.0054(6)0.033(1)−0.0078(9)
C(19)4a0.6558(2)−0.1373(1)0.5904(2)0.0327(9)0.0186(6)0.076(2)−0.0026(6)0.030(1)−0.0051(8)
C(20)4a0.7652(2)−0.3413(1)0.4959(1)0.042(1)0.0211(7)0.045(1)0.0056(7)−0.0017(8)−0.0049(7)
Cl(1)4a−0.1372(1)0.70119(9)0.28151(5)0.1090(8)0.1267(9)0.0392(3)0.0061(7)−0.0203(4)0.0129(4)
Cl(2)4a−0.23235(9)0.65568(6)0.12563(5)0.0857(6)0.0799(5)0.0596(4)−0.0366(5)−0.0005(4)−0.0122(4)
N(5)4a0.4261(1)0.43903(9)0.20135(8)0.0204(5)0.0235(6)0.0244(6)0.0010(4)0.0012(4)0.0006(5)
C(21)4a−0.1895(2)0.7378(2)0.1897(1)0.0366(9)0.049(1)0.0348(9)0.0035(8)0.0062(8)0.0020(8)
C(22)4a0.5242(2)0.5615(2)0.2678(2)0.047(1)0.0330(9)0.060(1)−0.0085(9)−0.004(1)−0.0096(9)
C(23)4a0.5389(2)0.4902(1)0.2077(1)0.0245(7)0.0348(8)0.0318(8)−0.0033(6)−0.0037(6)0.0018(7)
C(24)4a0.4335(2)0.3640(1)0.1468(1)0.0431(9)0.0297(8)0.0241(7)0.0008(7)0.0004(7)−0.0042(6)
C(25)4a0.5133(3)0.2937(1)0.1802(1)0.064(1)0.0278(8)0.037(1)0.0114(9)0.0122(9)−0.0005(7)

aDisordered, occupancy factor: 0.31; bDisordered, occupancy factor: 0.69.

Source of material

The chemical reagents and solvents used in this study are commercially available. The synthesis of the title compound follows a published protocol [1].

Yield: 90%; m.p. 120 °C; 1H-NMR (400 MHz, CDCl3): δ7.55 (2H, d, J = 8.8 Hz, C6H4), 7.15 (2H, d, J = 8.8 Hz, C6H4), 5.32 (1H, t, J = 6.6 Hz, C6H4CH), 4.22 (2H, d, J = 6.6 Hz, COCHCO), 3.35 (6H, s, 2CH3), 3.28 (s, 6H, 2CH3), 3.04 (4H, q, J = 7.3 Hz, CH2CH3), 1.30 (6H, t, J = 7.3 Hz, CH2CH3); 13C-NMR (100 MHz, CDCl3): δ169.5, 155.7, 153.1, 150.0, 138.9, 136.5, 133.0, 131.0, 130.3, 127.0, 122.0, 49.6, 39.1, 29.0, 28.8, 28.5, 28.4, 11.9.

Experimental details

The trifuoromethyl group (C20) is disordered over two positions with an occupancy ratio of 0.69:0.31 (see the figure).

Discussion

The pyrimidine-trione moiety was found to be a key pharmacophore of many biological and therapeutic targets. Thus, several substituted pyrimidine-triones were reported to exhibit marked biological activities such as HIV-1 and HIV-2 protease inhibitors, anticonvulsant sedative-hypnotic, antioxidant, anti-inflammatory, and anticancer agents [2–11]. In the asymmetric unit of the title structure one pyrimidine-trione core, a diethylamine and a dichloromethane molecule are present. The target molecule contains three planar rings: N1/N2/C1/C3/C5/C6, N3/N4/C8—C9/C11/C13 and C14—C19. The dihedral angle between two pyrimidine rings (N1/N2/C1/C3/C5/C6 and N3/N4/C8—C9/C11/C13) was found to be 75.87(3)°. The phenyl ring appeared to be twisted with an angles of 71.08(2)° and 81.93(2)° with respect to the planes of two pyrimidine-trione rings (N1/N2/C1/C3/C5/C6 and N3/N4/C8—C9/C11/C13), respectively. The diethylamine (NHEt2) and dichloromethane (DCM) solvate molecules (Figure) play a crucial role in the stabilization of the crystal structure. In the structure, the target molecule is connected to the diethylamine by a N—H⋯O hydrogen bond.

Corresponding author: Assem Barakat, Department of Chemistry, College of Science, King Saud University, P. O. Box, 2455, Riyadh 11451, Saudi Arabia, e-mail: ; and Department of Chemistry, Faculty of Science, Alexandria University, P. O. Box 426, Ibrahimia, Alexandria 21321, Egypt

Acknowledgements:

The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for its funding this Research group NO (RG-257-1435-1436).

References

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Received: 2015-12-1
Accepted: 2016-1-15
Published Online: 2016-2-6
Published in Print: 2016-3-1

©2016 Assem Barakat et al., published by De Gruyter.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Artikel in diesem Heft

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  29. Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C13H9NO5
  30. Crystal structure of catena-poly[hexaaquabis(μ2-3-nitrophthalate-κ2O:O′)-(μ2-1,4-bis(4-pyridylmethyl)piperazine-κ2N:N′)dimanganese(II)] dihydrate, C32H42Mn2N6O20
  31. Crystal structure of diaquabis(bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate-κ4O, O′:/O′′,O′′′)bis-(2,2′-bipyridine-κ2N, N′)dicadmium(II) hydrate
  32. Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea
  33. Crystal structure of poly[(μ2-1,4-bis((1H-imidiazol-1-yl)methyl)benzene-κ2N:N′)-(μ2-4,4′-(1,2-phenylenebis(oxy)dibenzoato-κ4O,O′:O′′,O′′′)nickel(II)], C34H26O6N4Ni
  34. Crystal structure of 3′,4′,5-trihydroxy-3,7-dimethoxyflavone, C17H14O7
  35. Crystal structure of n-butyl-chlorido-bis[N-sec-butyl,N-n-propyl-carbamodithioato κ2S,S′]-tin(IV), C20H41ClN2S4Sn
  36. Crystal structure of poly[bis(μ4-4,4′-(1,2-phenylenebis(oxy))dibenzoato-κ4O:O′:O′′:O′′′)bis(μ3-4,4′-(1,2-phenylenebis(oxy))dibenzoato–κ3O:O′:O′′)(μ2-1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole-κ2N:N′)tetracobalt(II)], C94H62O24N4Co4
  37. Crystal structure of catenapoly[diaqua-(μ24,4′-bipyridine)-κ2N:N′)-bis(2,6-difluorobenzoate)-κO)nickel(II)] ethanol monosolvate, C28H30F4N2O8Ni
  38. Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S
  39. Crystal structure of 2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine, C18H16N2O
  40. Crystal structure of catena-poly[diaquabis(μ2-3-carboxybenzene-1,2-dicarboxylato-1:2κ2O:O′)-(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)-benzene-1:1′κ2N:N′)dizinc(II)], [Zn2(C26H26N4)(C9H4O6)2(H2O)2]
  41. Crystal structure of diaquabis(phenoxyacetato-κ2O,O′)-zinc(II), C16H18O8Zn
  42. Crystal structure of 4-(1H-imidazol-1-yl)-6-pyrimidinylferrocene, C17H14FeN4
  43. Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd
  44. Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C18H13Cl2NO3
  45. Crystal structure of 4,4′-bipyridin-1-ium 3,3′,5′-tricarboxy-[1,1′-biphenyl]-2-carboxylate, (C26H18N2O8)
  46. Crystal structure of catena-poly[diaqua-μ2-4,4′-biphenyl-4,4′-diyldipyridine-κ2N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C40H40N4O12Ni
  47. Crystal structure of poly-[μ2-4,4′-bipyridine-κ2N:N′−μ3-thiophene-2,3-di-carboxylato-κ4O,O′, O′′:O′′′ -cadmium(II)]
  48. Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2
  49. Crystal structure of 4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoic acid, C14H10N4O2
  50. Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile)
  51. Crystal structure of catena-poly[2,2′-bipyridinyl-6,6′-dicarboxylato-κ4N,N′,O,O′)-(μ2-2,2′-bipyridinyl-6′-carboxyl-6-carboxylato-κ5N,N′,O,O′:O′′)samarium(III)] monohydrate, C24H13N4O8Sm · H2O
  52. Crystal structure of catena-poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato)-κ2N:O)copper(II)] dihydrate, C28H22N8O6Cu
  53. Crystal structure of catena-poly[tetraaqua-(μ2-4,4′-bipyridine-k2N:N′)-zinc(II)] fumarate tetrahydrate, C14H26N2O12Zn
  54. Crystal structure of triaqua-(1,10-phenanthroline)-(dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato) cobalt(II)dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, C72H82Co2N16O42
  55. Crystal structure of poly[dibromido-(μ2–4,4′-bis-(pyrid-4-yl)biphenyl-κ2N:N′)lead(II)], C22H16N2PbBr2
  56. Crystal structure of catena-poly[diaqua-bis(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:N)-cobalt(II)]dihydrate, C26H24N2O12Co
  57. Crystal structure of 5-(4-pyridyl)pyrimidine–4,4′-bipyridine–1,3,5-benzenetriol–water (1:1:1:1), C25H23N5O4
  58. Crystal structure of 5-hydroxy-4-((4-hydroxyphenyl)imino)naphthalen-1(4H)-one monohydrate, C16H11NO3 · 0.5H2O
  59. Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C14H14N2O2
  60. Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C15H14O6
  61. Crystal structure of dichlorido[bis(2-hydroxyethyl)5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylato]zinc(II), C39H31Cl2N3O6Zn
  62. Crystal structure of bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] benzene-1,4-dicarboxylate (C20H18F2N3O3)2(C8H4O4), C48H40F4N6O10
  63. Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4
  64. Crystal structure of photochromic 1-(2-methyl-5-phenyl-3-thienyl-2-[2-methyl-5-(4-ethoxylphenyl)-3-thienyl] 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H22F6OS2
  65. Crystal structure of poly[diaquabis(μ2-biphenyl-2,4′-dicarboxylato-κ2O:O′)tris(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2N:N′)dicobalt(II)] monohydrat, C82H64N12O11Co2
  66. Crystal structure of 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12N2O2F2
  67. Crystal structure of poly[(di-μ2-aqua-κ2O:O)bis(μ5-oxalato-1:2κ2O1; 1κ1O2; 3:4:5κ3O3; 3κ1O4)(μ4-oxalato-1:2κ2O1; 2:3κ2O2; 3:4κ2O3; 4:1κ2O4)dizinc(II)disodium(I)]
  68. Crystal structure of tetraethylammonium hexachloridotantalate(V), C8H20Cl6NTa
  69. Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C13H8Br2N2O3
  70. The crystal structure of 6-chloro-2,4-diphenylquinoline
  71. Crystal structure of (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-5-methylphenol monohydrate, C20H15N3O·H2O
  72. Crystal structure of tris(3-(2-pyridyl)pyrazole)zinc(II)tetrachlorido zincate(II), C24H21Cl4N9Zn2
  73. Crystal structure of 4-chloro-N,N-diethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, C12H20ClN5
  74. The crystal structure of 4-allyl-5-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H13N3O
  75. Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C19H20N2O4S
  76. Crystal structure of fac-tricarbonyl(2-(isopropylimino)methyl-5-methylphenolatido-κ2N,O)(pyridine-κN)rhenium(I), C19H19N2O4Re
  77. Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4
  78. Crystal structure of catena-poly-(diaqua-(μ2-1,2-bis(4-pyridyl)ethene-κ2N:N′)-(4-methylphthalato-κ2O,O′)-cobalt(II)trihydrate, C21H26CoN2O9
  79. Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re
  80. Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
  81. Crystal structure of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II), [C6H11N2]2[CdBr4]
  82. Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O
  83. Crystal structure of trans-tetraaquabis(4-(pyridin-4-ylsulfonyl)pyridine-κN)cobalt(II) diperchlorate dihydrate, C20H28Cl2CoN4O18S2
  84. Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2
  85. Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C16H16FN3OS
  86. Crystal structure of poly[octaaqua-tris(benzene-1,2,4,5-tetracarboxylato)tetralanthanum(III)] hexahydrate, C30H34La4O38
  87. Crystal structure of trans-tetraaqua-bis(4,4′-sulfonyldipyridine-κN)zinc(II) diperchlorate dihydrate, C20H28Cl2ZnN4O18S2
  88. Crystal structure of 4-nitro-thiophene-2-carboxylic acid, a structure with a Z′ = 4, C5H3NO4S
  89. Crystal structure of dirubidium trimercury(II) tetraselenide, Rb2Hg3Se4
  90. Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS
  91. Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg
  92. The crystal structure of catena-poly[(μ2-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ2N:N′)silver(I)] nitrate, C20H14N5AgO3
  93. The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2
  94. The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C3H6N4O5
  95. Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3
  96. Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3
  97. Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3
  98. Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
  99. Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide
  100. Crystal structure of (1,10-phenanthroline-κ2N,N′)bis(thiocyanato-κN)platinum(II), C14H8N4PtS2
  101. Crystal structure of di(μ2-chlorido)bis[2-(2-pyridyl)phenyl-κ2N,C1]dipalladium(II), C22H16Cl2N2Pd2
  102. Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2
https://doi.org/10.1515/ncrs-2015-0170
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Artikel in diesem Heft

  1. Cover and Frontmatter
  2. Crystal structure of rac-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid, C5H7O2F3
  3. Crystal structure of 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, C12H14O4
  4. Crystal structure of ethyl 2-(2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazol-4-yl)acetate, C18H21ClN2O3S
  5. The crystal structure of (4E,11E,31E,38E)-1,4,12,15,18,26,31,39-Octaaza-7,21,24-trihydroxy-penta-cyclo[13·13·13·16,10·120,24·133,37]tetratetraconta-4,6(44),7,9,11,18,20(43),21,23,25,31,33(42),34,36,38-pentadecaene, C36H42N8O3
  6. Crystal structure of poly[diaqua-μ5-4-(3,5-dicarboxylato-κ3O1:O2:O3-phenoxy)phthalato-κ3O5,O7:O8)(μ2-4-(1H-pyrazol-5-yl)pyridine-κ2N:N′)dicobalt(II)] C24H16N3O11Co2
  7. Crystal structure of catena-poly[(μ2-acetamido-benzoato-κ2O:O′)triphenyltin(IV)], C27H23NO3Sn
  8. Crystal structure of chlorido(2,2′-((1E,1′E)-(((1R,2R)-cyclohexane-1,2-diyl)bis(azanylylidene))bis(methylylidene))diphenolato-κ4N,N′,O,O′)iron(III), C20H20ClFeN2O2
  9. Crystal structure of (E)-3-(4-tert-butyl)phenyl)-1-(3-chlorophenyl)prop-2-en-1-one, C18H17CIO
  10. Crystal structure of trans-1,2-bis(pyridinium-4-yl)ethylene–2-carboxy-4-methylbenzoate (1/2), C30H26N2O8
  11. Crystal structure of poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]
  12. Crystal structure of (E)-2-((2-(2,4-dinitrophenyl)hydrazono)methyl)-4-nitrophenol — triethylamine (2/1), C32H33N11O14
  13. Crystal structure of catena-poly[diaqua-bis-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:N)cadmium(II)] dihydrate, C26H24N2O12Cd
  14. Crystal structure of 2-(ethoxycarbonyl)-2-(2-nitro-1-phenylethyl)-3-oxopyrrolidinium chloride, C15H19N2O5Cl
  15. Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C11H10N2OS
  16. Crystal structure of 2,5-diethoxy-1,4-bis[2-(quinoline)ethenyl]benzene, C32H28N2O2
  17. Crystal structure of diaqua(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2N:N′)tetrakis(3-carboxy-5-ethylpyridine-2-carboxylato-κ2N,O)dizinc(II), C54H50N8O18Zn2
  18. Crystal structure of a poly[bis(3,4,5,6-tetrachlorophthalato)neodym(III)potassium(I)] — 4,4′-bipyridine — water (1/1/5.5)
  19. The second polymorph of triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide, C9H18N4S3
  20. Crystal structure of 2,2′-diamino-[1,1′-biphenyl]-4,4′-dicarboxylic acid dihydrate, C14H16N2O6
  21. Crystal structure of the catena-poly[bis(1H-imidazole-κN)-(μ2-furan-2,5-dicarboxylato-κ2O1:O4)manganese(II)]monohydrate, C12H12MnN4O6
  22. Crystal structure of (acetylacetonato-κ2O:O′)bis-((1-(2-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one)-κ2C,N)iridium(III), C33H27IrN2O6
  23. Crystal structure of 1-benzyl-3-(4-methylpyridin-2-yl)-1H-imidazol-3-ium hexafluorophosphate, C16H16F6N3P
  24. Crystal structure of tetraethylammonium 3,5-dinitrosalicylate, C15H23N3O7
  25. Crystal structure of 4-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydropyrazol-1-yl] benzenesulfonamide, C21H18FN3O3S
  26. Crystal structure of 2,4-dichlorobenzene anhydride, C14H6Cl4O3
  27. Crystal structure of bis(2-hydroxy-2-phenylacetato-κ2O,O′)bis(pyridine-κN)nickel(II), C26H24N2NiO6
  28. Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C17H18BN3O5·2H2O
  29. Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C13H9NO5
  30. Crystal structure of catena-poly[hexaaquabis(μ2-3-nitrophthalate-κ2O:O′)-(μ2-1,4-bis(4-pyridylmethyl)piperazine-κ2N:N′)dimanganese(II)] dihydrate, C32H42Mn2N6O20
  31. Crystal structure of diaquabis(bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate-κ4O, O′:/O′′,O′′′)bis-(2,2′-bipyridine-κ2N, N′)dicadmium(II) hydrate
  32. Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea
  33. Crystal structure of poly[(μ2-1,4-bis((1H-imidiazol-1-yl)methyl)benzene-κ2N:N′)-(μ2-4,4′-(1,2-phenylenebis(oxy)dibenzoato-κ4O,O′:O′′,O′′′)nickel(II)], C34H26O6N4Ni
  34. Crystal structure of 3′,4′,5-trihydroxy-3,7-dimethoxyflavone, C17H14O7
  35. Crystal structure of n-butyl-chlorido-bis[N-sec-butyl,N-n-propyl-carbamodithioato κ2S,S′]-tin(IV), C20H41ClN2S4Sn
  36. Crystal structure of poly[bis(μ4-4,4′-(1,2-phenylenebis(oxy))dibenzoato-κ4O:O′:O′′:O′′′)bis(μ3-4,4′-(1,2-phenylenebis(oxy))dibenzoato–κ3O:O′:O′′)(μ2-1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole-κ2N:N′)tetracobalt(II)], C94H62O24N4Co4
  37. Crystal structure of catenapoly[diaqua-(μ24,4′-bipyridine)-κ2N:N′)-bis(2,6-difluorobenzoate)-κO)nickel(II)] ethanol monosolvate, C28H30F4N2O8Ni
  38. Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S
  39. Crystal structure of 2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine, C18H16N2O
  40. Crystal structure of catena-poly[diaquabis(μ2-3-carboxybenzene-1,2-dicarboxylato-1:2κ2O:O′)-(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)-benzene-1:1′κ2N:N′)dizinc(II)], [Zn2(C26H26N4)(C9H4O6)2(H2O)2]
  41. Crystal structure of diaquabis(phenoxyacetato-κ2O,O′)-zinc(II), C16H18O8Zn
  42. Crystal structure of 4-(1H-imidazol-1-yl)-6-pyrimidinylferrocene, C17H14FeN4
  43. Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd
  44. Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C18H13Cl2NO3
  45. Crystal structure of 4,4′-bipyridin-1-ium 3,3′,5′-tricarboxy-[1,1′-biphenyl]-2-carboxylate, (C26H18N2O8)
  46. Crystal structure of catena-poly[diaqua-μ2-4,4′-biphenyl-4,4′-diyldipyridine-κ2N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C40H40N4O12Ni
  47. Crystal structure of poly-[μ2-4,4′-bipyridine-κ2N:N′−μ3-thiophene-2,3-di-carboxylato-κ4O,O′, O′′:O′′′ -cadmium(II)]
  48. Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2
  49. Crystal structure of 4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoic acid, C14H10N4O2
  50. Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile)
  51. Crystal structure of catena-poly[2,2′-bipyridinyl-6,6′-dicarboxylato-κ4N,N′,O,O′)-(μ2-2,2′-bipyridinyl-6′-carboxyl-6-carboxylato-κ5N,N′,O,O′:O′′)samarium(III)] monohydrate, C24H13N4O8Sm · H2O
  52. Crystal structure of catena-poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato)-κ2N:O)copper(II)] dihydrate, C28H22N8O6Cu
  53. Crystal structure of catena-poly[tetraaqua-(μ2-4,4′-bipyridine-k2N:N′)-zinc(II)] fumarate tetrahydrate, C14H26N2O12Zn
  54. Crystal structure of triaqua-(1,10-phenanthroline)-(dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato) cobalt(II)dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, C72H82Co2N16O42
  55. Crystal structure of poly[dibromido-(μ2–4,4′-bis-(pyrid-4-yl)biphenyl-κ2N:N′)lead(II)], C22H16N2PbBr2
  56. Crystal structure of catena-poly[diaqua-bis(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:N)-cobalt(II)]dihydrate, C26H24N2O12Co
  57. Crystal structure of 5-(4-pyridyl)pyrimidine–4,4′-bipyridine–1,3,5-benzenetriol–water (1:1:1:1), C25H23N5O4
  58. Crystal structure of 5-hydroxy-4-((4-hydroxyphenyl)imino)naphthalen-1(4H)-one monohydrate, C16H11NO3 · 0.5H2O
  59. Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C14H14N2O2
  60. Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C15H14O6
  61. Crystal structure of dichlorido[bis(2-hydroxyethyl)5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylato]zinc(II), C39H31Cl2N3O6Zn
  62. Crystal structure of bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] benzene-1,4-dicarboxylate (C20H18F2N3O3)2(C8H4O4), C48H40F4N6O10
  63. Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4
  64. Crystal structure of photochromic 1-(2-methyl-5-phenyl-3-thienyl-2-[2-methyl-5-(4-ethoxylphenyl)-3-thienyl] 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H22F6OS2
  65. Crystal structure of poly[diaquabis(μ2-biphenyl-2,4′-dicarboxylato-κ2O:O′)tris(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2N:N′)dicobalt(II)] monohydrat, C82H64N12O11Co2
  66. Crystal structure of 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12N2O2F2
  67. Crystal structure of poly[(di-μ2-aqua-κ2O:O)bis(μ5-oxalato-1:2κ2O1; 1κ1O2; 3:4:5κ3O3; 3κ1O4)(μ4-oxalato-1:2κ2O1; 2:3κ2O2; 3:4κ2O3; 4:1κ2O4)dizinc(II)disodium(I)]
  68. Crystal structure of tetraethylammonium hexachloridotantalate(V), C8H20Cl6NTa
  69. Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C13H8Br2N2O3
  70. The crystal structure of 6-chloro-2,4-diphenylquinoline
  71. Crystal structure of (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-5-methylphenol monohydrate, C20H15N3O·H2O
  72. Crystal structure of tris(3-(2-pyridyl)pyrazole)zinc(II)tetrachlorido zincate(II), C24H21Cl4N9Zn2
  73. Crystal structure of 4-chloro-N,N-diethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, C12H20ClN5
  74. The crystal structure of 4-allyl-5-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H13N3O
  75. Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C19H20N2O4S
  76. Crystal structure of fac-tricarbonyl(2-(isopropylimino)methyl-5-methylphenolatido-κ2N,O)(pyridine-κN)rhenium(I), C19H19N2O4Re
  77. Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4
  78. Crystal structure of catena-poly-(diaqua-(μ2-1,2-bis(4-pyridyl)ethene-κ2N:N′)-(4-methylphthalato-κ2O,O′)-cobalt(II)trihydrate, C21H26CoN2O9
  79. Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re
  80. Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
  81. Crystal structure of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II), [C6H11N2]2[CdBr4]
  82. Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O
  83. Crystal structure of trans-tetraaquabis(4-(pyridin-4-ylsulfonyl)pyridine-κN)cobalt(II) diperchlorate dihydrate, C20H28Cl2CoN4O18S2
  84. Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2
  85. Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C16H16FN3OS
  86. Crystal structure of poly[octaaqua-tris(benzene-1,2,4,5-tetracarboxylato)tetralanthanum(III)] hexahydrate, C30H34La4O38
  87. Crystal structure of trans-tetraaqua-bis(4,4′-sulfonyldipyridine-κN)zinc(II) diperchlorate dihydrate, C20H28Cl2ZnN4O18S2
  88. Crystal structure of 4-nitro-thiophene-2-carboxylic acid, a structure with a Z′ = 4, C5H3NO4S
  89. Crystal structure of dirubidium trimercury(II) tetraselenide, Rb2Hg3Se4
  90. Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS
  91. Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg
  92. The crystal structure of catena-poly[(μ2-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ2N:N′)silver(I)] nitrate, C20H14N5AgO3
  93. The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2
  94. The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C3H6N4O5
  95. Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3
  96. Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3
  97. Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3
  98. Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
  99. Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide
  100. Crystal structure of (1,10-phenanthroline-κ2N,N′)bis(thiocyanato-κN)platinum(II), C14H8N4PtS2
  101. Crystal structure of di(μ2-chlorido)bis[2-(2-pyridyl)phenyl-κ2N,C1]dipalladium(II), C22H16Cl2N2Pd2
  102. Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2
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Heruntergeladen am 10.11.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2015-0170/html?lang=de
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