Home Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)
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Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)

  • Zhuo-Wen Fan , Long Li , Liang-Liang Wang and Ji-Zhi Liu EMAIL logo
Published/Copyright: February 17, 2016

Abstract

C40H46Cu1N6O14F2S, monoclinic, P21/c, a = 15.6688(5) Å, b = 14.2411(4) Å, c = 22.0126(10) Å, β = 124.327(3)°, V = 4056.4(3) Å3, Z = 4, Rgt(F) = 0.0579, wRref(F2) = 0.1677, T = 293 K.

CCDC no.:: 1447139

The crystal structure is shown in the figure. Tables 13 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:Green, block, size 0.16×0.24×0.35 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:6.78 cm−1
Diffractometer, scan mode:Xcalibur, Eos, φ and ω scans
2θmax:50.02°
N(hkl)measured, N(hkl)unique:12990, 7140
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 5559
N(param)refined:622
Programs:SHELX [5]
Table 2

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

AtomSitexyzUiso
H(1WA)4e1.490(4)0.482(2)0.790(2)0.101
H(1WB)4e1.501(4)0.386(1)0.804(2)0.101
H(2WA)4e0.781(2)−0.029(2)0.768(2)0.084
H(2WB)4e0.678(1)−0.006(2)0.716(2)0.084
H(3WA)4e0.928(2)0.495(3)0.618(3)0.114
H(3WB)4e1.025(3)0.489(2)0.631(3)0.114
H(4WA)4e1.887(1)0.146(3)1.0883(9)0.103
H(4WB)4e1.781(1)0.144(3)1.051(1)0.093
H(3A)4e0.702(1)0.147(2)0.615(1)0.058
H(3B)4e0.750(2)0.094(2)0.679(2)0.058
H(6A)4e2.3495(9)0.774(3)1.141(1)0.067
H(6B)4e2.268(2)0.792(3)1.0681(9)0.067
H(3)4e1.29400.05330.66550.054
H(4)4e1.12200.11400.61590.054
H(9)4e1.3006−0.01930.90270.052
H(14)4e1.57760.80370.93200.033
H(17)4e1.22250.39910.84920.036
H(19)4e1.48690.09180.93110.043
H(20A)4e0.82830.15480.60060.046
H(20B)4e0.80840.04930.60980.046
H(22)4e1.77640.91431.03400.035
H(23)4e1.13720.08360.80410.034
H(25)4e1.85490.50441.03380.035
H(27A)4e0.92800.27780.78960.037
H(27B)4e0.90710.17150.79590.037
H(28A)4e1.3847−0.11680.86520.086
H(28B)4e1.4141−0.02570.83530.086
H(29)4e1.91790.82061.02650.032
H(30A)4e2.27580.64621.15000.053
H(30B)4e2.28520.63671.08290.053
H(31A)4e2.11390.68371.00230.046
H(31B)4e2.11760.59661.04760.046
H(33A)4e0.94540.05290.73460.040
H(33B)4e0.98730.08460.68750.040
H(34A)4e2.07630.85511.09750.040
H(34B)4e2.08790.83891.03180.040
H(35A)4e1.78270.90650.90590.047
H(35B)4e1.82710.99230.96560.047
H(36A)4e0.75060.24570.71200.042
H(36B)4e0.79270.27840.66530.042
H(37A)4e1.65841.01600.93950.058
H(37B)4e1.61390.93020.87970.058
H(38A)4e1.2052−0.08140.78200.069
H(38B)4e1.23450.00980.75200.069
H(40A)4e2.24510.89631.13340.043
H(40B)4e2.24980.81371.18250.043
Table 3

Atomic displacement parameters (Å2).

AtomSitexyzU11U22U33U12U13U23
Cu(1)4e1.53771(2)0.44807(2)0.94046(2)0.0136(2)0.0201(2)0.0443(2)−0.0040(1)0.0104(2)−0.0012(2)
S(1)4e1.30489(6)0.28286(6)0.71622(5)0.0231(4)0.0378(5)0.0445(5)−0.0020(3)0.0111(4)−0.0103(4)
O(1)4e1.4086(1)0.3877(1)0.9087(1)0.0160(9)0.019(1)0.050(1)−0.0036(8)0.0127(9)−0.0021(9)
O(1W)4e1.4988(3)0.4402(2)0.8198(2)0.099(2)0.046(2)0.057(2)−0.012(2)0.045(2)−0.007(1)
O(2)4e1.6131(1)0.3314(1)0.9764(1)0.0157(9)0.025(1)0.064(2)−0.0037(9)0.013(1)0.002(1)
O(2W)4e0.7391(2)0.0143(2)0.7415(2)0.035(1)0.048(2)0.068(2)−0.004(1)0.019(1)−0.002(1)
O(3)4e1.6396(2)0.1794(2)0.9913(2)0.016(1)0.026(1)0.144(3)0.003(1)0.013(2)0.005(2)
O(3W)4e0.9775(2)0.5277(2)0.6235(2)0.054(2)0.051(2)0.093(2)0.011(1)0.022(2)−0.002(2)
O(4)4e1.6685(1)0.5100(1)0.9784(1)0.0173(9)0.019(1)0.049(1)−0.0021(8)0.0132(9)0.0005(9)
O(4W)a4e1.8375(6)0.1186(6)1.0874(4)0.032(3)0.060(4)0.093(6)−0.002(3)0.021(4)0.007(5)
O(4W′)a4e1.8311(6)0.1331(6)1.0465(4)0.035(3)0.075(5)0.078(5)−0.009(3)0.033(4)−0.023(5)
O(5)4e1.4642(1)0.5643(1)0.9192(1)0.0157(9)0.022(1)0.064(2)−0.0025(8)0.016(1)−0.001(1)
O(6)4e1.4337(2)0.7155(2)0.8998(2)0.017(1)0.027(1)0.091(2)0.0044(9)0.021(1)0.008(1)
O(7)4e1.5213(2)0.2434(2)0.7883(2)0.025(1)0.062(2)0.091(2)−0.005(1)0.018(1)−0.026(2)
O(8)4e1.5101(2)0.0920(2)0.7633(2)0.047(2)0.063(2)0.088(2)0.020(2)0.018(2)−0.015(2)
O(9)4e1.1159(2)0.3884(2)0.6600(2)0.035(1)0.051(2)0.075(2)0.007(1)0.018(1)−0.011(2)
O(10)4e1.0059(2)0.2685(2)0.6100(1)0.026(1)0.069(2)0.057(2)−0.000(1)0.016(1)−0.004(1)
N(1)4e1.3372(2)0.1084(2)0.8770(2)0.017(1)0.017(1)0.050(2)−0.001(1)0.011(1)0.003(1)
N(2)4e0.9722(2)0.1913(2)0.7401(1)0.015(1)0.027(1)0.041(2)−0.006(1)0.012(1)−0.011(1)
N(3)4e0.7616(2)0.1396(2)0.6559(2)0.014(1)0.037(2)0.047(2)−0.002(1)0.006(1)−0.003(1)
N(4)4e1.7248(2)0.7906(2)0.9750(1)0.017(1)0.017(1)0.038(1)−0.0011(9)0.012(1)0.001(1)
N(5)4e2.0869(2)0.7182(2)1.0793(1)0.017(1)0.025(1)0.047(2)−0.002(1)0.017(1)−0.004(1)
N(6)4e2.2828(2)0.7722(2)1.1102(2)0.022(1)0.060(2)0.052(2)−0.009(1)0.020(1)−0.006(2)
C(1)4e1.4716(3)0.1690(3)0.7582(2)0.030(2)0.052(2)0.054(2)0.007(2)0.017(2)−0.009(2)
C(2)4e1.3568(2)0.1781(2)0.7150(2)0.028(2)0.037(2)0.037(2)0.001(1)0.014(1)−0.003(2)
C(3)4e1.2811(3)0.1142(2)0.6737(2)0.042(2)0.031(2)0.048(2)−0.000(2)0.017(2)−0.003(2)
C(4)4e1.1819(2)0.1493(2)0.6448(2)0.030(2)0.043(2)0.044(2)−0.012(2)0.011(2)−0.004(2)
C(5)4e1.1821(2)0.2399(2)0.6632(2)0.026(2)0.039(2)0.030(2)−0.004(1)0.012(1)−0.001(2)
C(6)4e1.0937(2)0.3041(3)0.6427(2)0.026(2)0.056(2)0.033(2)0.004(2)0.012(2)0.002(2)
C(7)4e1.6811(2)0.5976(2)0.9748(2)0.017(1)0.023(2)0.029(2)−0.003(1)0.012(1)−0.004(1)
C(8)4e1.3912(2)0.3004(2)0.9016(2)0.016(1)0.023(2)0.029(2)−0.006(1)0.009(1)−0.001(1)
C(9)4e1.3144(2)0.0083(2)0.8682(2)0.024(2)0.017(2)0.070(2)−0.002(1)0.015(2)0.008(2)
C(10)4e1.1064(2)0.3077(2)0.8023(2)0.018(1)0.024(2)0.041(2)0.002(1)0.012(1)−0.000(1)
C(11)4e1.8059(2)0.7265(2)1.0023(2)0.016(1)0.020(1)0.029(2)0.000(1)0.010(1)0.000(1)
C(12)4e1.7841(2)0.6311(2)1.0019(2)0.017(1)0.019(1)0.030(2)0.000(1)0.012(1)−0.001(1)
C(13)4e1.9863(2)0.6933(2)1.0540(2)0.017(1)0.024(2)0.034(2)−0.002(1)0.013(1)−0.002(1)
C(14)4e1.6299(2)0.7592(2)0.9495(2)0.016(1)0.023(2)0.040(2)0.002(1)0.013(1)0.003(1)
C(15)4e1.2582(2)0.1746(2)0.8513(2)0.016(1)0.021(1)0.034(2)−0.002(1)0.010(1)0.001(1)
C(16)4e1.9626(2)0.5987(2)1.0586(2)0.019(1)0.023(2)0.046(2)0.008(1)0.015(1)0.010(1)
C(17)4e1.2062(2)0.3357(2)0.8400(2)0.020(1)0.020(2)0.041(2)−0.003(1)0.013(1)−0.002(1)
C(18)4e1.6030(2)0.6669(2)0.9468(2)0.016(1)0.025(2)0.032(2)−0.001(1)0.011(1)−0.001(1)
C(19)4e1.4359(2)0.1376(2)0.9135(2)0.017(1)0.023(2)0.052(2)0.001(1)0.011(1)0.004(2)
C(20)4e0.8310(2)0.1096(2)0.6345(2)0.028(2)0.040(2)0.038(2)−0.006(1)0.012(2)−0.012(2)
C(21)4e1.0761(2)0.2129(2)0.7857(2)0.015(1)0.026(2)0.031(2)−0.004(1)0.009(1)−0.004(1)
C(22)4e1.7454(2)0.8909(2)0.9839(2)0.024(1)0.020(2)0.041(2)0.001(1)0.016(1)0.000(1)
C(23)4e1.1540(2)0.1470(2)0.8122(2)0.019(1)0.017(1)0.040(2)−0.007(1)0.012(1)−0.004(1)
C(24)4e1.2850(2)0.2691(2)0.8652(2)0.017(1)0.022(1)0.031(2)−0.002(1)0.011(1)0.001(1)
C(25)4e1.8666(2)0.5680(2)1.0321(2)0.021(1)0.019(1)0.043(2)0.001(1)0.015(1)0.002(1)
C(26)4e1.4930(2)0.6479(2)0.9195(2)0.016(1)0.027(2)0.043(2)−0.002(1)0.011(1)−0.002(1)
C(27)4e0.9046(2)0.2187(2)0.7631(2)0.021(1)0.032(2)0.038(2)−0.002(1)0.015(1)−0.004(1)
C(28)4e1.3662(3)−0.0541(2)0.8445(3)0.042(2)0.023(2)0.131(4)−0.001(2)0.039(3)−0.009(2)
C(29)4e1.9055(2)0.7569(2)1.0275(2)0.021(1)0.018(1)0.037(2)−0.002(1)0.015(1)0.001(1)
C(30)4e2.2524(2)0.6719(2)1.1022(2)0.025(2)0.046(2)0.062(2)0.001(2)0.025(2)−0.004(2)
C(31)4e2.1369(2)0.6621(2)1.0511(2)0.025(2)0.036(2)0.056(2)−0.002(1)0.025(2)−0.006(2)
C(32)4e1.5808(2)0.2475(2)0.9678(2)0.015(1)0.027(2)0.060(2)−0.003(1)0.009(2)−0.000(2)
C(33)4e0.9413(2)0.1015(2)0.7021(2)0.019(1)0.033(2)0.042(2)−0.003(1)0.013(1)−0.012(2)
C(34)4e2.1112(2)0.8180(2)1.0808(2)0.022(1)0.028(2)0.045(2)−0.004(1)0.016(1)−0.000(2)
C(35)4e1.7772(2)0.9420(2)0.9412(2)0.038(2)0.029(2)0.048(2)−0.003(1)0.023(2)0.005(2)
C(36)4e0.7959(2)0.2289(2)0.6968(2)0.022(1)0.029(2)0.047(2)0.003(1)0.015(1)−0.000(2)
C(37)4e1.6722(3)0.9568(2)0.9249(2)0.037(2)0.024(2)0.071(3)0.003(1)0.022(2)0.007(2)
C(38)4e1.2546(3)−0.0321(2)0.7928(2)0.045(2)0.027(2)0.082(3)−0.004(2)0.025(2)−0.006(2)
C(39)4e1.4671(2)0.2289(2)0.9267(2)0.015(1)0.026(2)0.039(2)−0.000(1)0.008(1)0.001(1)
C(40)4e2.2277(2)0.8308(2)1.1330(2)0.024(1)0.037(2)0.043(2)−0.006(1)0.016(1)−0.001(2)
F(1)4e1.0319(1)0.3738(1)0.7761(1)0.0193(8)0.0259(9)0.078(1)0.0033(7)0.0157(9)−0.000(1)
F(2)4e2.0410(1)0.5360(1)1.0935(1)0.0219(9)0.031(1)0.097(2)0.0110(8)0.027(1)0.019(1)

aDisordered, occupancy factor: 0.5.

Source of material

A mixture of Cu(CH3COO)2 · 4H2O (0.20 mmol), ciprofloxacin (0.40 mmol), 2,5-thiophenedicarboxylic acid (0.20 mmol), sodium hydroxide (1.0 mmol), and water (15 mL) was stirred for 15 min in air. The mixture was then transferred to a 25 mL Teflon-lined hydrothermal autoclave. The autoclave was heated to 448 K for 96 h under autogenous pressure. After cooling, green single crystals of title compound were obtained from the reaction mixture.

Experimental details

The H on nitrogen were located in difference Fourier maps and refined in the riding model approximation, with N-H and distances restrained ((0.86(1) or 0.85(1) Å) and U(H) = 1.5Ueq (N, O). The O4w is disordered over two sites and the occupancies have been fixed at 0.5:0.5.

Discussion

Ciprofloxacin (Hcf), C17H18FN3O3 (systematic name 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylic acid), is a member of the fluoroquinolone (flqu) family of antibiotics, widely used in veterinary clinical practice because of its wide antibiotic spectrum and its excellent bactericidal activity [1].

Our interest in ciprofloxacin and related fluoroquinolones is focused on their potential as multidentate/bridging ligands in coordination chemistry. The cadmium, manganese, copper, zinc and cobalt complexes of ciprofloxacin anion had been reported [24].

In the title structure the CuII atom (site symmetry 1) exhibits a distorted CuO5 square-pyramidal geometry defined by two neutral bidentate O,O-bonded ciprofloxacin (Hcf) zwitterions in the basal plane and one water molecule in the apical position.

An extensive network of O—H⋯O and O—H⋯N hydrogen bonds helps to establish the crystal packing.


Corresponding author: Ji-Zhi Liu, Department of Sport and Health Science, Harbin Sport University, Harbin, 150008, Heilongjiang Province, P. R. China, e-mail:

Acknowledgements:

This work was partially supported by Scientific Research Fund of Heilongjiang Provincial Education Department (No. 12511511).

References

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Received: 2015-7-10
Accepted: 2016-1-13
Published Online: 2016-2-17
Published in Print: 2016-6-1

©2016 Zuo-Wen Fan et al., published by De Gruyter.

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

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  21. Crystal structure of 5-methoxy-4-methyl-2-(2-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H15N3O2
  22. The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone
  23. Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate
  24. Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4
  25. Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)
  26. Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3
  27. Crystal structure of catena[diaqua-bis(μ2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2N:N′)copper(II)] dinitrate, C20H24CuN18O8
  28. Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag
  29. Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2
  30. Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O
  31. Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
  32. Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2N,N′))bis(methanylylidene))diphenolato-κ2O′′,O′′′]zinc(II), C28H22N2O4Zn
  33. Crystal structure of (E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C13H17NO3
  34. Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8
  35. Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn
  36. Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2
  37. Crystal structure of bis(8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, C36H42CuN10O12
  38. Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2
  39. Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2
  40. The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32
  41. Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2
  42. Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S
  43. Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3
  44. Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2
  45. Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2
  46. Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2N,N′)zinc(II)
  47. Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)
  48. Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
  49. Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)
  50. Crystal structure of 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16Cl2N2O2
  51. Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13
  52. Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ2O,O′)(triphenylarsine-κAs)rhodium(I), C25H20AsN2O3Rh
  53. The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2
  54. Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S
  55. Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2N:O)barium(II), C4H10N8O6Ba
  56. Crystal structure of 2-amino-4-(3-phenoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C22H18N2O3
  57. Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
  58. Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2
  59. Crystal structure of tris(N-nitroso-N-oxyanilino-κ2O, O′) oxidoniobium(V), C18H15N6O7Nb
  60. Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S
  61. Crystal structure of diethyl-3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-dicarboxylate, C19H18O4S2
  62. Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12
  63. The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine
  64. Crystal structure of hexaquamanganese(II) bis(hexaborato-κ3O,O′,O′′)manganese(II) dihydrate, B12H28Mn2O34
  65. Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]
  66. Crystal structure of 13-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one — dimethylformamide — water (1/2/1), C29H31FN6O4
  67. Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
  68. Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
  69. Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4
  70. Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4
  71. Crystal structure of trans-bis(2-methylmaleato-κ2O,O′) bis(piperazinium-κN) cobalt(II) trihydrate, C18H36CoN4O11
  72. Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O
  73. Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
  74. Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2
  75. Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
  76. Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
  77. Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
  78. Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
  79. Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
  80. Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
  81. Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
  82. Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
  83. Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
  84. Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
  85. Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
  86. Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
  87. Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
  88. Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
  89. Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
  90. Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
  91. Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
  92. Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
  93. Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
  94. Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
  95. Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
  96. Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
  97. Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
  98. Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
  99. Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
  100. Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
  101. Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
  102. Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
  103. Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5
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