Startseite Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S
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Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S

  • Hazem A. Ghabbour EMAIL logo , Bakr F. Abdel-Wahab , Mohammed Baashen , Majid Mohammad Asmari und Gamal A. El-Hiti
Veröffentlicht/Copyright: 11. Juni 2016
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 231 Heft 4

Abstract

C16H13BrFN3S, monoclinic, P21/c, a = 14.6734(6) Å, b = 11.1226(5) Å, c = 9.4184(4) Å, β = 102.524(2)°, V = 1500.57(11) Å3, Z = 4, Rgt(F) = 0.0473, wRref(F2) = 0.1182, T = 100 K.

CCDC no.:: 1452283

The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 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:Colourless plates Size 0.68 × 0.37 × 0.12 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:28.9 cm−1
Diffractometer, scan mode:Bruker APEX-II, φ and ω
2θmax, completeness:58.6°, >99%
N(hkl)measured, N(hkl)unique, Rint:21750, 4371, 0.103
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 3162
N(param)refined:207
Programs:SHELX [6], Bruker programs [7]
Table 2

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

AtomxyzUiso*/Ueq
Br10.44696(2)0.15662(3)0.00851(3)0.01972(11)
S11.01214(5)0.66563(6)0.65912(8)0.01185(15)
F10.73592(13)0.64557(14)1.11962(18)0.0181(4)
N10.79310(15)0.5003(2)0.4233(2)0.0105(5)
N20.86648(15)0.53044(19)0.5376(2)0.0092(4)
N30.90095(19)0.6816(2)0.3963(3)0.0128(5)
C10.6293(2)0.4069(3)0.2376(3)0.0148(6)
H1A0.64060.49050.23060.018*
C20.5583(2)0.3529(2)0.1380(3)0.0159(6)
H2A0.52090.39890.06220.019*
C30.54196(19)0.2305(2)0.1495(3)0.0131(6)
C40.5945(2)0.1621(2)0.2604(3)0.0146(6)
H4A0.58200.07880.26790.017*
C50.66584(18)0.2170(2)0.3605(3)0.0128(6)
H5A0.70200.17100.43760.015*
C60.68495(19)0.3393(2)0.3491(3)0.0109(5)
C70.76343(18)0.3951(2)0.4513(3)0.0102(5)
C80.81851(19)0.3397(2)0.5885(3)0.0105(5)
H8A0.85860.27350.56710.013*
H8B0.77700.30870.65020.013*
C90.87727(18)0.4463(2)0.6612(3)0.0099(5)
H9A0.94410.42230.69560.012*
C100.83949(18)0.5010(2)0.7848(3)0.0086(5)
C110.87928(18)0.4708(2)0.9285(3)0.0100(5)
H11A0.93080.41710.94900.012*
C120.8441(2)0.5186(2)1.0420(3)0.0128(5)
H12A0.87120.49871.14020.015*
C130.76933(19)0.5953(2)1.0087(3)0.0119(5)
C140.72730(19)0.6266(2)0.8678(3)0.0122(6)
H14A0.67490.67900.84810.015*
C150.76382(18)0.5793(2)0.7566(3)0.0109(5)
H15A0.73680.60070.65890.013*
C160.92191(19)0.6252(2)0.5241(3)0.0099(5)
H2N30.929(2)0.734(3)0.385(4)0.021(10)*
H1N30.852(2)0.658(2)0.329(3)0.004(7)*

Source of material

3-(4-Bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide was synthesized from reaction of a mixture of (E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one, thiosemicarabzide and two mole equivalents of sodium hydroxide in ethanol under reflux for 3 h. The solid was filtered, dried and recrystallized from dimethylformamide to give colorless crystals of the title compound (Mp 270–271°C) [1, 2].

Experimental details

C-bound H atoms were placed in calculated positions (C—H 0.93 Å) and were included in the refinement in the riding model approximation, with Uiso(H) set to 1.2Ueq(C). The nitrogen-bound H atoms was located on a difference Fourier map and refined freely.

Discussion

N1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)pyrazoles are useful as MAO inhibitors against monoamine oxidases which were isolated and purified from the mitochondrial extracts of rat liver homogenates and human platelets [3]. Corresponding derivatives have antimicrobial and antidepressant activities [4, 5]. In the title compound, C16H13BrFN3S, the asymmetric unit contains only one independent molecule. The central pyrazolyl ring (N1/N2/C7—C9) makes a dihedral angles of 14.71(2)° and 80.41(3)° with the plane of the bromophenyl ring (C1—C6) and the plane of the fluorophenyl ring (C10—C15), respectively. The packing of the structure shows two weak hydrogen bonds between N3—H1N3⋯F1i and C15—H15A⋯Br1ii. (symmetry code: (i) x, y, z-1; (ii) −x+1, y+1/2, −z+1/2.

Acknowledgements:

The authors extend their appreciation to the Deanship of Scientific Research and the Research Center, College of Pharmacy, King Saud University for their funding of this research.

References

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Received: 2016-2-15
Accepted: 2016-6-3
Published Online: 2016-6-11
Published in Print: 2016-12-1

©2016 Hazem A. Ghabbour et al., published by De Gruyter.

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

Artikel in diesem Heft

  1. Cover and Frontmatter
  2. Crystal structure of the catena-poly-[bis(μ2-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl-κN)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)nickel(II)] 5.5 hydrate, C32H44N6NiO11F2
  3. Crystal structure of catena-poly-[(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetato-κ2O:O′)(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetate-κ3O,O′:O′)cadmium(II)], C28H20N2Cl4O4Cd
  4. Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd
  5. Crystal structure of poly-{[μ2-(E)-1,4-di(1H-imidazol-1-yl)but-2-ene-κ2N:N′][μ2-cyclohexane-1,4-dicarboxylato-κ4O,O′:O′′,O′′′]nickel(II)}, C18H22N4NiO4
  6. Crystal structure of aqua (5,5′-dicarboxy-(1,1′-biphenyl)-2,3′-dicarboxylato-κO) bis(1,10-phenanthroline-κ2N,N′)cadmium monohydrate, C40H28CdN4O10
  7. Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS
  8. Crystal structure of 5-methoxy-N′-[(3Z)-1-benzyl-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C27H25FN4O4S
  9. Crystal structure of poly-[bis{μ2-N-(4-(1H-imidazol-1-yl)phenyl)-4-(1H-imidazol-1-yl)-N-phenylaniline-κ2N:N′)}-(μ2-naphthalene-2,6-dicarboxylato)-(μ4-naphthalene-2,6-dicarboxylato)dicadmium(II)], C36H25N5O4Cd
  10. Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S
  11. Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O
  12. Crystal structure of dichlorido{bis(2-hydroxyethyl)-5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylate-κ3N,N′,N′′}zinc(II), C39H31Cl2N3O6Zn
  13. Crystal structure of 4,4′-(1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo [3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid, C26H18N2O8
  14. Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C17H16Cl2N2O2
  15. The crystal structure of diaqua-(N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ4-N,O,O′,O′′)chromium(III) based on synchrotron data, C11H13CrN2O9
  16. Crystal structure of ethyl 5-amino-3-(methylthio)-1-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-1H-pyrazole-4-carboxylate, C21H19N5O3S2
  17. Crystal structure of (E)-1-(4-(((E)-3,5-dibromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H16Br2N2O2
  18. Crystal structure of dibromido μ-oxalato-κ2O,O′:κ2O′′,O′′′−η6-p-cymenediosmium(II), C22H28Br2O4Os2
  19. Crystal structure of 2-(bromomethyl)-4-(4-chlorophenyl)-1-tosylpyrrolidine, C18H19BrClNO2S2
  20. Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3
  21. Crystal structure of diethylammonium 1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide, C10H19N3O3
  22. Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O
  23. Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS
  24. Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2
  25. Crystal structure of 1-ferrocenyl-6-bromopyrene, C26H17BrFe
  26. Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S
  27. Crystal structure of 2-amino-4-(3,5-ditrifluoromethylphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C20H16F6N2O2
  28. The crystal structure of 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13N3O4
  29. Crystal structure of 2-amino-4-(2, 4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2
  30. Crystal structure of bis(μ2-chlorido)-bis(di-p-tolylhydroxyphosphine-κP)-bis(di-p-tolylphosphite-κP)dipalladium(II), C56H58Cl2O4P4Pd2
  31. Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14
  32. Crystal structure of aqua-(5-nitrosalicylato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)copper(II), C19H13CuN3O6
  33. Crystal structure of bis(4-(2-phenylpropan-2-yl)phenyl)amine, C30H31N
  34. Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2
  35. Crystal structure of 2-amino-4-(3,4,5-trifluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H11F3N2O2
  36. Crystal structure of an isomeric bis[(η5:η1-6,6-di-p-tolylpentafulvene)(η5-pentamethylcyclopentadienyl)titanium(III)]-μ2,η1:η1-dinitrogen complex, C60H66N2Ti2
  37. Crystal structure of 3,4-dinitropyrazole, C3H2N4O4
  38. Crystal structure of (4-vinylpyridine-κN)triphenyl tin(IV) chloride, C25H22ClNSn
  39. Crystal structure of tert-butyl 2-phenylethylcarbamate, C13H19NO2
  40. Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4
  41. Crystal structure of bis(biphenyl-2,2′-dicarboxylato-κ2O:O′)-bis(1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)dizinc(II)2.5 hydrate, C62H57N6Zn2O16.5F2
  42. Crystal structure of dichloridobis{μ2-2,2′-((1E,1′E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-chlorophenolato)-κ5O,N,N′,O′:O′}diiron(III), C32H24Cl6Fe2N4O4
  43. Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
  44. Crystal structure of poly-[aqua-μ2-aqua-μ2-(4,4′-oxybis(benzoato)-κ4O,O′:O′′,O′′′)cadmium(II)], C14H12O7Cd
  45. Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2
  46. Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12
  47. Crystal structure of poly-[tetraaqua-bis(μ4-2,5-dibenzoyl-1,4-benzenedicarboxylato-κ4O1:O2:O3:O4)-μ2-2,5-dibenzoyl-1,4-benzenedicarboxylato-k4O5,O6: O5′,O6′-didysprosium(III)] tetrahydrate C33H26O13Dy
  48. Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2
  49. Crystal structure of poly-[triaqua-(μ3-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′,O′′′) (2,3,4,5-tetrafluoro-benzoato-κ2O,O′) praseodymium(III)], C15H7F8O9Pr
  50. The crystal structure of dichlorido (1,3-dimesityl-1H-3λ4-imidazol-2-yl)(isoquinoline-κN)palladium(IV) – ethylacetate (1/1), C34H39Cl2N3O2Pd
  51. Crystal structure of dichlorido(1,3-bis(2,6-dimethyl-phenyl)-1H-3λ4-imidazol-2-yl)(isoquinolinyl)palladium(IV), C28H27Cl2N3Pd
  52. Crystal structure of 5-(4-(1H-tetrazol-5-yl)phenyl)-1H-imidazol-3-ium 7-carboxy-1,3-dioxo-1H,3H-benzo[de]isochromene-6-carboxylate monohydrate 4,5-anhydride, C24H16N6O8
  53. Crystal structure of poly-[diaqua-bis(μ2-2-((1H-1,2,4-triazol-5-yl)thio)acetato-κ2N:O) cadmium(II)], C8H8CdN6O6S2
  54. Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6
  55. Structure and photochromism of 1-(1,2-dimethylindol-3-yl)-2-[2-methyl-5-(3-fluorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C26H18F7NS
  56. Crystal structure of two-dimensional coordination polymer poly-[μ2-azido-aqua-(μ2-pyrazine-2-carboxylato-κ3O,N:N′)nickel(II)], C5H5N5O3Ni
  57. Crystal structure of 2-amino-5-oxo-4-(3,5-bis(trifluoromethyl)phenyl)-4H,5H-pyrano [3,2-c]chromene-3-carbonitrile, C21H10F6N2O3
  58. Crystal structure of 4-(5-((2-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, C21H18N4S
  59. Crystal structure of 5-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-N-ethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, C18H16Cl2N4O2S
  60. Crystal structure of 4-(benzofuran-2-yl)-2-(3-(4-fluorophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)thiazole, C28H20FN3OS
  61. Crystal structure of bis(dicyanamido-κ1N)-tetrakis[1-benzyl-1H-1,2,4-triazole-κ1N]cobalt(II), CoC40H36N18
  62. Crystal structure of 1-benzyl-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carbonitrile, C13H14N2O
  63. Crystal structure of 2-amino-7-methyl-4-(3,4-difluoro-phenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10F2N2O3
  64. The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3
  65. Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O
  66. Crystal structure of N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)quinolin-8-yl)benzamide, C21H17N3O4S
  67. Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2
  68. Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3
  69. Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile – ethanol (1:1), C21H16N4O8
  70. Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ2O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ4O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
  71. Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4
  72. Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
  73. Crystal structure of 4-(4-((3-bromophenyl)amino)-6-(tert-butyl)-3-(2-hydroxypropan-2-yl)cinnolin-8-yl)-2-methylbut-3-yn-2-ol, C26H30BrN3O2
  74. Crystal structure poly-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazolyl-κ2NN1:N2N)-(μ3-2,2′-(1,2-phenylene)diacetato-κ5-O1,O2:O2:O3,O4)cadmium(II), C22H19CdN5O4
  75. Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
  76. Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O
  77. Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
  78. The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dicerium(III), C50H38F18O16Ce2
  79. Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO
  80. Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2
  81. The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O
https://doi.org/10.1515/ncrs-2016-0057
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Artikel in diesem Heft

  1. Cover and Frontmatter
  2. Crystal structure of the catena-poly-[bis(μ2-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl-κN)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)nickel(II)] 5.5 hydrate, C32H44N6NiO11F2
  3. Crystal structure of catena-poly-[(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetato-κ2O:O′)(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetate-κ3O,O′:O′)cadmium(II)], C28H20N2Cl4O4Cd
  4. Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd
  5. Crystal structure of poly-{[μ2-(E)-1,4-di(1H-imidazol-1-yl)but-2-ene-κ2N:N′][μ2-cyclohexane-1,4-dicarboxylato-κ4O,O′:O′′,O′′′]nickel(II)}, C18H22N4NiO4
  6. Crystal structure of aqua (5,5′-dicarboxy-(1,1′-biphenyl)-2,3′-dicarboxylato-κO) bis(1,10-phenanthroline-κ2N,N′)cadmium monohydrate, C40H28CdN4O10
  7. Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS
  8. Crystal structure of 5-methoxy-N′-[(3Z)-1-benzyl-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C27H25FN4O4S
  9. Crystal structure of poly-[bis{μ2-N-(4-(1H-imidazol-1-yl)phenyl)-4-(1H-imidazol-1-yl)-N-phenylaniline-κ2N:N′)}-(μ2-naphthalene-2,6-dicarboxylato)-(μ4-naphthalene-2,6-dicarboxylato)dicadmium(II)], C36H25N5O4Cd
  10. Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S
  11. Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O
  12. Crystal structure of dichlorido{bis(2-hydroxyethyl)-5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylate-κ3N,N′,N′′}zinc(II), C39H31Cl2N3O6Zn
  13. Crystal structure of 4,4′-(1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo [3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid, C26H18N2O8
  14. Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C17H16Cl2N2O2
  15. The crystal structure of diaqua-(N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ4-N,O,O′,O′′)chromium(III) based on synchrotron data, C11H13CrN2O9
  16. Crystal structure of ethyl 5-amino-3-(methylthio)-1-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-1H-pyrazole-4-carboxylate, C21H19N5O3S2
  17. Crystal structure of (E)-1-(4-(((E)-3,5-dibromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H16Br2N2O2
  18. Crystal structure of dibromido μ-oxalato-κ2O,O′:κ2O′′,O′′′−η6-p-cymenediosmium(II), C22H28Br2O4Os2
  19. Crystal structure of 2-(bromomethyl)-4-(4-chlorophenyl)-1-tosylpyrrolidine, C18H19BrClNO2S2
  20. Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3
  21. Crystal structure of diethylammonium 1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide, C10H19N3O3
  22. Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O
  23. Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS
  24. Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2
  25. Crystal structure of 1-ferrocenyl-6-bromopyrene, C26H17BrFe
  26. Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S
  27. Crystal structure of 2-amino-4-(3,5-ditrifluoromethylphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C20H16F6N2O2
  28. The crystal structure of 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13N3O4
  29. Crystal structure of 2-amino-4-(2, 4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2
  30. Crystal structure of bis(μ2-chlorido)-bis(di-p-tolylhydroxyphosphine-κP)-bis(di-p-tolylphosphite-κP)dipalladium(II), C56H58Cl2O4P4Pd2
  31. Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14
  32. Crystal structure of aqua-(5-nitrosalicylato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)copper(II), C19H13CuN3O6
  33. Crystal structure of bis(4-(2-phenylpropan-2-yl)phenyl)amine, C30H31N
  34. Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2
  35. Crystal structure of 2-amino-4-(3,4,5-trifluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H11F3N2O2
  36. Crystal structure of an isomeric bis[(η5:η1-6,6-di-p-tolylpentafulvene)(η5-pentamethylcyclopentadienyl)titanium(III)]-μ2,η1:η1-dinitrogen complex, C60H66N2Ti2
  37. Crystal structure of 3,4-dinitropyrazole, C3H2N4O4
  38. Crystal structure of (4-vinylpyridine-κN)triphenyl tin(IV) chloride, C25H22ClNSn
  39. Crystal structure of tert-butyl 2-phenylethylcarbamate, C13H19NO2
  40. Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4
  41. Crystal structure of bis(biphenyl-2,2′-dicarboxylato-κ2O:O′)-bis(1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)dizinc(II)2.5 hydrate, C62H57N6Zn2O16.5F2
  42. Crystal structure of dichloridobis{μ2-2,2′-((1E,1′E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-chlorophenolato)-κ5O,N,N′,O′:O′}diiron(III), C32H24Cl6Fe2N4O4
  43. Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
  44. Crystal structure of poly-[aqua-μ2-aqua-μ2-(4,4′-oxybis(benzoato)-κ4O,O′:O′′,O′′′)cadmium(II)], C14H12O7Cd
  45. Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2
  46. Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12
  47. Crystal structure of poly-[tetraaqua-bis(μ4-2,5-dibenzoyl-1,4-benzenedicarboxylato-κ4O1:O2:O3:O4)-μ2-2,5-dibenzoyl-1,4-benzenedicarboxylato-k4O5,O6: O5′,O6′-didysprosium(III)] tetrahydrate C33H26O13Dy
  48. Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2
  49. Crystal structure of poly-[triaqua-(μ3-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′,O′′′) (2,3,4,5-tetrafluoro-benzoato-κ2O,O′) praseodymium(III)], C15H7F8O9Pr
  50. The crystal structure of dichlorido (1,3-dimesityl-1H-3λ4-imidazol-2-yl)(isoquinoline-κN)palladium(IV) – ethylacetate (1/1), C34H39Cl2N3O2Pd
  51. Crystal structure of dichlorido(1,3-bis(2,6-dimethyl-phenyl)-1H-3λ4-imidazol-2-yl)(isoquinolinyl)palladium(IV), C28H27Cl2N3Pd
  52. Crystal structure of 5-(4-(1H-tetrazol-5-yl)phenyl)-1H-imidazol-3-ium 7-carboxy-1,3-dioxo-1H,3H-benzo[de]isochromene-6-carboxylate monohydrate 4,5-anhydride, C24H16N6O8
  53. Crystal structure of poly-[diaqua-bis(μ2-2-((1H-1,2,4-triazol-5-yl)thio)acetato-κ2N:O) cadmium(II)], C8H8CdN6O6S2
  54. Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6
  55. Structure and photochromism of 1-(1,2-dimethylindol-3-yl)-2-[2-methyl-5-(3-fluorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C26H18F7NS
  56. Crystal structure of two-dimensional coordination polymer poly-[μ2-azido-aqua-(μ2-pyrazine-2-carboxylato-κ3O,N:N′)nickel(II)], C5H5N5O3Ni
  57. Crystal structure of 2-amino-5-oxo-4-(3,5-bis(trifluoromethyl)phenyl)-4H,5H-pyrano [3,2-c]chromene-3-carbonitrile, C21H10F6N2O3
  58. Crystal structure of 4-(5-((2-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, C21H18N4S
  59. Crystal structure of 5-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-N-ethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, C18H16Cl2N4O2S
  60. Crystal structure of 4-(benzofuran-2-yl)-2-(3-(4-fluorophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)thiazole, C28H20FN3OS
  61. Crystal structure of bis(dicyanamido-κ1N)-tetrakis[1-benzyl-1H-1,2,4-triazole-κ1N]cobalt(II), CoC40H36N18
  62. Crystal structure of 1-benzyl-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carbonitrile, C13H14N2O
  63. Crystal structure of 2-amino-7-methyl-4-(3,4-difluoro-phenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10F2N2O3
  64. The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3
  65. Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O
  66. Crystal structure of N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)quinolin-8-yl)benzamide, C21H17N3O4S
  67. Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2
  68. Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3
  69. Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile – ethanol (1:1), C21H16N4O8
  70. Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ2O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ4O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
  71. Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4
  72. Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
  73. Crystal structure of 4-(4-((3-bromophenyl)amino)-6-(tert-butyl)-3-(2-hydroxypropan-2-yl)cinnolin-8-yl)-2-methylbut-3-yn-2-ol, C26H30BrN3O2
  74. Crystal structure poly-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazolyl-κ2NN1:N2N)-(μ3-2,2′-(1,2-phenylene)diacetato-κ5-O1,O2:O2:O3,O4)cadmium(II), C22H19CdN5O4
  75. Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
  76. Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O
  77. Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
  78. The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dicerium(III), C50H38F18O16Ce2
  79. Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO
  80. Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2
  81. The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O
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Heruntergeladen am 2.10.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2016-0057/html
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