Abstract
C28H22CdN4O6, triclinic, P1̄ (no. 2), a = 8.8463(3) Å, b = 9.0275(3) Å, c = 15.6752(5) Å, α = 78.033(3)°, β = 88.988(3)°, γ = 84.843(3)°, V = 1219.66(7) Å3, Z = 2, Rgt(F) = 0.0333, wRref(F2) = 0.0732, T = 291 K.

A part of the polymeric structure is shown in the figure (A = 1 − x, 1 − y, 1 − z; B = 2 − x, 1 − y, −z). Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
| Crystal: | Colourless block |
| Size: | 0.21 × 0.20 × 0.18 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 0.95 mm−1 |
| Diffractometer, scan mode: | SuperNova, ω |
| θmax, completeness: | 28.4°, >99% |
| N(hkl)measured, N(hkl)unique, Rint: | 14591, 5202, 0.033 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 4658 |
| N(param)refined: | 352 |
| Programs: | CrysAlisPRO [1], SHELX [2], [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| Cd1 | 0.68235(2) | 0.33201(2) | 0.24244(2) | 0.02708(8) |
| O1 | 0.5787(3) | 0.5241(2) | 0.29394(14) | 0.0497(6) |
| O2 | 0.4117(2) | 0.3628(3) | 0.34559(16) | 0.0509(6) |
| O3 | 1.0552(2) | 0.6371(2) | −0.22212(13) | 0.0427(5) |
| O4 | 1.2161(2) | 0.4731(2) | −0.13856(13) | 0.0367(5) |
| N1 | 0.1874(3) | 1.0363(2) | 0.52732(15) | 0.0333(5) |
| H1 | 0.1746 | 1.0729 | 0.4725 | 0.040* |
| N2 | 0.2535(2) | 0.8724(2) | 0.64975(14) | 0.0268(5) |
| N3 | 0.5776(2) | 0.2362(2) | 0.13622(14) | 0.0271(5) |
| N4 | 0.4855(2) | 0.2063(2) | 0.01061(15) | 0.0304(5) |
| H4 | 0.4764 | 0.2131 | −0.0446 | 0.036* |
| C1 | 0.4072(3) | 0.5927(3) | 0.39922(17) | 0.0294(6) |
| C2 | 0.4613(3) | 0.7350(3) | 0.38981(19) | 0.0381(7) |
| H2 | 0.5338 | 0.7647 | 0.3475 | 0.046* |
| C3 | 0.4082(3) | 0.8320(3) | 0.44258(19) | 0.0382(7) |
| H3 | 0.4418 | 0.9287 | 0.4339 | 0.046* |
| C4 | 0.3051(3) | 0.7878(3) | 0.50887(17) | 0.0280(6) |
| C5 | 0.2548(3) | 0.6439(3) | 0.52011(19) | 0.0333(6) |
| H5 | 0.1871 | 0.6117 | 0.5647 | 0.040* |
| C6 | 0.3050(3) | 0.5482(3) | 0.46520(19) | 0.0336(6) |
| H6 | 0.2695 | 0.4524 | 0.4728 | 0.040* |
| C7 | 0.4669(3) | 0.4847(3) | 0.34235(19) | 0.0362(7) |
| C8 | 0.2492(3) | 0.8948(3) | 0.56325(17) | 0.0270(6) |
| C9 | 0.1488(3) | 1.1112(3) | 0.59319(18) | 0.0289(6) |
| C10 | 0.0818(3) | 1.2566(3) | 0.5932(2) | 0.0382(7) |
| H10 | 0.0519 | 1.3236 | 0.5416 | 0.046* |
| C11 | 0.0619(3) | 1.2969(3) | 0.6724(2) | 0.0424(8) |
| H11 | 0.0160 | 1.3927 | 0.6749 | 0.051* |
| C12 | 0.1089(4) | 1.1973(3) | 0.7493(2) | 0.0422(7) |
| H12 | 0.0970 | 1.2295 | 0.8018 | 0.051* |
| C13 | 0.1726(3) | 1.0521(3) | 0.74954(19) | 0.0358(7) |
| H13 | 0.2021 | 0.9856 | 0.8013 | 0.043* |
| C14 | 0.1914(3) | 1.0087(3) | 0.67009(17) | 0.0273(6) |
| C15 | 0.9544(3) | 0.4520(3) | −0.10898(17) | 0.0273(6) |
| C16 | 0.8041(3) | 0.4979(3) | −0.13176(19) | 0.0345(7) |
| H16 | 0.7812 | 0.5704 | −0.1823 | 0.041* |
| C17 | 0.6881(3) | 0.4363(3) | −0.07966(19) | 0.0343(7) |
| H17 | 0.5877 | 0.4663 | −0.0960 | 0.041* |
| C18 | 0.7206(3) | 0.3296(3) | −0.00280(17) | 0.0271(6) |
| C19 | 0.8716(3) | 0.2827(3) | 0.01944(18) | 0.0294(6) |
| H19 | 0.8950 | 0.2108 | 0.0702 | 0.035* |
| C20 | 0.9862(3) | 0.3426(3) | −0.03363(18) | 0.0297(6) |
| H20 | 1.0867 | 0.3093 | −0.0188 | 0.036* |
| C21 | 1.0833(3) | 0.5245(3) | −0.16039(18) | 0.0315(6) |
| C22 | 0.5956(3) | 0.2608(3) | 0.04967(17) | 0.0263(6) |
| C23 | 0.3900(3) | 0.1381(3) | 0.07347(18) | 0.0294(6) |
| C24 | 0.2655(3) | 0.0576(3) | 0.0684(2) | 0.0379(7) |
| H24 | 0.2299 | 0.0439 | 0.0154 | 0.045* |
| C25 | 0.1976(3) | −0.0009(4) | 0.1459(2) | 0.0463(8) |
| H25 | 0.1143 | −0.0566 | 0.1454 | 0.056* |
| C26 | 0.2501(4) | 0.0207(4) | 0.2251(2) | 0.0467(8) |
| H26 | 0.1993 | −0.0187 | 0.2760 | 0.056* |
| C27 | 0.3753(3) | 0.0990(3) | 0.23027(19) | 0.0372(7) |
| H27 | 0.4102 | 0.1124 | 0.2835 | 0.045* |
| C28 | 0.4473(3) | 0.1572(3) | 0.15250(18) | 0.0277(6) |
| O5 | 0.1269(3) | 1.2499(3) | 0.37493(14) | 0.0538(6) |
| H5A | 0.0962 | 1.2645 | 0.3226 | 0.081* |
| H5B | 0.2111 | 1.2884 | 0.3641 | 0.081* |
| O6 | 0.4477(3) | 0.2081(3) | −0.16039(15) | 0.0621(7) |
| H6A | 0.3580 | 0.1708 | −0.1462 | 0.093* |
| H6B | 0.4354 | 0.2988 | −0.1897 | 0.093* |
Source of material
A mixture of Cd(CH3COO)2 ⋅ 2 H2O (0.0266 g, 0.1 mmol), 4-(benzo[d]imidazol-2-yl)benzoic acid (0.0238 g, 0.1 mmol), and H2O (15 mL) was sealed in a 25 mL Teflon-lined stainless steel vessel and heated at 120 °C for 4 days. The colorless block crystals of the title compound were obtained, which were washed with water and dried in air with a 44% yield.
Experimental details
The hydrogen atoms were assigned with common isotropic displacement factors Uiso(H) = 1.2 times Ueq(C) and Ueq(N), refined with riding coordinates, Uiso(H) = 1.5 times Ueq(O), refined as rotating group.
Comment
Coordination polymer (CPs), a fascinating kind of crystalline solides have drawn attention in the past decades because of their porosity, tunable frameworks, and application in many fields [4], [5], [6], [7]. Up to now various techniques have been developed to bulid CPs due to the aesthetic appeal of their frameworks and topologies. A number of CPs have been assembled from metal centers with aromatic carboxylates since they can provide the structural rigidity and give diverse coordination modes for the generation of CPs chains, layers, or networks [8], [9], [10]. On the other hand, N-donor coligands can be incorporated, thereby enhancing the structural scope and imparting additional multi-functional behavior [11], [12], [13]. Recently, we have been interested in the construction of CPs bearing bifunctional ligands with aromatic carboxylates and N-heterocyclics present together [14], [15], [16]. As an extension of this project, we herein report the title structure.
The title compound exhibits one dimensional chain structure. The asymmetric unit of the title structure contains two 4-(benzo[d]imidazol-2-yl)benzoate anions, one Cd(II) ion, and two lattice water molecules. As shown in the figure, Cd1 is five-coordinated by three oxygen atoms from two different 4-(benzo[d]imidazol-2-yl)benzoate ligands and two nitrogen atoms from two other ligands. The coordination geometry of Cd1 can be described as a distorted trigonal bipyramid. The Cd—O bond lengths are in the range of 2.183(2)–2.372(2) Å, and the Cd—N bond lengths are 2.266(2) and 2.275(2) Å, respectively. The two 4-(benzo[d]imidazol-2-yl)benzoate ligands adopt different μ2 coordination modes and each Cd(II) center is coordinated by four ligands. Cd(II) cations are connected into one-dimensional chains. There are several intermolecular hydrogen bonds in the structure of the title compound. The one-dimensional chains are joined by these hydrogen bonds to form a three-dimensional framework.
References
1. Agilent Technologies: CrysAlisPRO Software system, version 1.171.35.19. Agilent Technologies UK Ltd, Oxford, UK (2011).Search in Google Scholar
2. Sheldrick, G. M.: SHELXT – Integrated space-group and crystal-structure determination. Acta Crystallogr. A71 (2015) 3–8.10.1107/S2053273314026370Search in Google Scholar PubMed PubMed Central
3. Sheldrick, G. M.: Crystal structure refinement with SHELXL. Acta Crystallogr. C71 (2015) 3–8.10.1107/S2053229614024218Search in Google Scholar PubMed PubMed Central
4. Miao, S.-B.; Ji, B.-M.; Wang, Y.-F.; Li, Z.-H.; Deng, D.-S.; Xu, C.-Y.; Zhou, L.: A new 3D pillared-layer porous framework with interesting open channels in the Co/triazolate/carboxylate system: synthesis, structure and magnetism. Inorg. Chem. Commun. 62 (2015) 47–50.10.1016/j.inoche.2015.10.024Search in Google Scholar
5. Ma, S.; Zhou, H.-C.: Gas storage in porous metal-organic frameworks for clean energy applications. Chem. Commun. 46 (2010) 44–53.10.1039/B916295JSearch in Google Scholar PubMed
6. Li, Z.-H.; Xue, L.-P.; Qin, Q.-P.; Zhao, Y.-J.: Synthesis, structure, and catalytic properties of a copper(II) coordination polymer material constructed from 5-nitro-1,2,3-benzenetricarboxylic acid and bis(4-pyridylformyl)piperazine mixed ligands. J. Solid State Chem. 278 (2019) 120908.10.1016/j.jssc.2019.120908Search in Google Scholar
7. Wang, Z. Q.; Zheng, C. J.; Wang, W. Z.; Xu, C.; Ji, B. M.; Zhang, X. H.: Synthesis, structure, and photophysical properties of two four-coordinate CuI-NHC complexes with efficient delayed fluorescence. Inorg. Chem. 55 (2016) 2157–2164.10.1021/acs.inorgchem.5b02546Search in Google Scholar PubMed
8. Chen, Z.-X.; Zhou, Y.-M.; Weng, L.-H.; Zhao, D.-Y.: Mixed-solvothermal syntheses and structures of six new zinc phosphonocarboxylates with zeolite-type and pillar-layered frameworks. Cryst. Growth Des. 8 (2008) 4045–4053.10.1021/cg800374sSearch in Google Scholar
9. Xue, L.-P.; Li, Z.-H.; Li, S.-H.; Wang, J.-G.: Synthesis, crystal structure and fluorescent property of a new one-dimensional cadmium(II) coordination polymer based on 3,4-thiophenedicarboxylic acid and 1,10-phenanthroline. Chin. J. Struct. Chem. 32 (2013) 704–708.Search in Google Scholar
10. Liu, G.-Z.; Xin, L.-Y.; Wang, L. Y.: Ancillary ligand-mediated syntheses and fluorescence properties of zinc(II) complexes based on flexible benzene dicarboxylic acid. CrystEngComm 13 (2011) 3013–3020.10.1039/c0ce00873gSearch in Google Scholar
11. Miao, S.-B.; Li, Z.-H.; Xu, C.-Y.; Ji, B.-M.: A new 3-fold interpenetrating 3D Zn(II) metal-organic framework: synthesis, structure and luminescent property. Chin. J. Struct. Chem. 35 (2016) 1960–1966.Search in Google Scholar
12. Lan, H.-H.; Li, X.-T.; Chu, W.-J.; Xu, C.-Y.; Ji, B.-M.: Syntheses, crystal structures and luminescence properties of two Zn(II) coordination polymers based on flexible bisbenzimidazole ligand. Chin. J. Inorg. Chem. 35 (2019) 1896–1902.Search in Google Scholar
13. Miao, S.-B.; Wang, Y.-F.; Deng, D.-S.; Xu, C.-Y.; Li, Z.-H.; Ji, B.-M.: A new Cu-based metal-organic framework built upon infinite 1D rod-shaped secondary building units. Inorg. Chem. Commun. 78 (2017) 25–27.10.1016/j.inoche.2017.02.003Search in Google Scholar
14. Deng, D.-S.; Kang, G.-H.; Ji, B.-M.; Li, H.-L.; Qu, G.-R.; Fan, X.-S.: Syntheses photoluminescent properties, and structural investigation of five complexes based on a new T-shaped 2-(pyridin-3-yl)-4,6-pyrimidine dicarboxylic acid ligand: structure evolution from one-dimensional chains to three-dimensional architectures. Aust. J. Chem. 66 (2013) 1342–1351.10.1071/CH13163Search in Google Scholar
15. Miao, S.-B.; Wang, Y.-F.; Deng, D.-S.; Xu, C.-Y.; Li, Z.-H.; Ji, B.-M.: Two Co(II) coordination polymers based on 3,5-di(4H-1,2,4-triazole-4-yl)benzoic acid ligand: syntheses, structures and magnetic property. Chin. J. Struct. Chem. 37 (2018) 1102–1108.Search in Google Scholar
16. Miao, S.-B.: Crystal structure of poly[aqua-(μ3-3,5-di(4H-1,2,4-triazolyl-4-κ3N,N′:N′′)benzenecarboxylato) silver(I)], C11H9AgN6O3. Z. Kristallogr. NCS 232 (2017) 711–712.10.1515/ncrs-2016-0349Search in Google Scholar
©2020 Kai-Hui Li et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 International License.
Articles in the same Issue
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- Crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}copper(II), C32H28Br2CuN4O4
- Crystal structure of bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)zinc(II), C40H28Cl4N4O4Zn
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- Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6
- The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S
- Crystal structure of diacetato-κ1O-diethanol-κ1O-bis(μ2-2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenolato-κ4O,N,O′:O′′)dinickel(II), C28H42Ni2N2O12
- The crystal structure of catena-poly[chlorido-(μ2-1,4-bis(pyridin-3-yl-methoxy)benzene-κ2N:N′)copper(II)], C18H16ClN2O2Cu
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- Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8
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- The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3
- Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2
- Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2
- Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS
- Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh
- The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re
- Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2N:O)nickel(II)], C28H22O6N8Ni
- Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2
- The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3
- Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2
- Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn
- The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5
- Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O
- Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S
- Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC1)tin(IV), C20H30Cl2O2S2Sn
- Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O
- Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn
- Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n
- Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3
- Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6
- Crystal structure of hexanedihydrazide, C6H14N4O2
- Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5
- Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS
- Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O
Articles in the same Issue
- Frontmatter
- Crystal structure of isopimara-7,15-dien-3-one, C20H30O
- Crystal structure of bis(6-aminopyridine-2-carboxylato-κ2O,N)-copper(II), C12H10O6N4Cu
- Crystal structure of 5,6-diphenyldibenzo[c, g]chrysene, C38H24
- Poly[bis(dimethylformamide-κO)-(μ8-5,5′′-dicarboxy-[1,1′:4′,1′′-terphenyl]-2′,3,3′′,5′-tetracarboxylato-κ8O:O1:O2:O3:O4:O5:O6:O7)dizinc(II)] — dimethylformamide (1/2), C18H19N2O8Zn
- The crystal structure of poly[bis(N,N-dimethylformamide-κ1O)(μ4- 2′,5,5′,5′′-tetracarboxy-[1,1′:4′,1′′-terphenyl]-3,3′′-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)] — N,N-dimethylformamide (1/2), C36H40N4O16Mn
- Crystal structure of N,N-dimethyl-4-((7-nitrobenzo[c][1,2,5]thiadiazol-4-yl)ethynyl)aniline, C16H12N4O2S
- The crystal structure of 8a-methoxy 8a-methoxy-1,5,8a,9a-tetrahydro-4H-8,9-dioxa-3a1λ4-aza-8aλ4, C18H14BNO3
- Crystal structure of poly[diaqua-(μ2-5-isopropoxyisophthalato-κ2O:O′)-(μ2-(1,3-bis(3,5-di(1H-imidazol-1-yl)pyridine))-κ2N:N′)cobalt(II)] monohydrate, C22H25N5O8Co
- The crystal structure of acetoximium 1′-hydroxy-1H,1H′-5,5′-bitetrazole-1-olate monohydrate, C5H11N9O4
- Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate(V), C9H13F6N2O2P
- The crystal structure of catena-poly[(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ2N,O)-(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ3N,O:O′)cadmium(II)]dihydrate, C28H22CdN4O6
- Enzyme-mediated synthesis and crystal structure of (2R,4S)-hydroxyketamine, C13H16ClNO2
- The crystal structure of bis(isothiocyanato-κ1N)-(methanol-κ1O)-[2-morpholine-4-yl-4,6-di(pyrazol-1-yl)-1,3,5-triazine-κ3N,N′,N′′] manganese(II), C16H18MnN10O2S2
- Crystal structure of bis{5-chloro-2-(((4-trifluoromethyl)imino)methyl)phenolato-κ2N,O}copper(II), C28H16Cl2CuF6N2O2
- Crystal structure of bis(1,3-phenylenedimethanaminium) bis(triiodide) tetraiodide – water (1/2) , C8H16I5N2O
- Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C25H18F3NO3S
- The crystal structure of bis{3-(diphenylphosphaneyl)propanoato-κ2O,P}platinum(II) dihydrate, C30H28O6P2Pt
- The crystal structure of (E)-2-(4-((4-fluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H21FO4
- Crystal structure of bis[3-methoxy-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3O,N,N′]nickel(II), C28H26N8O4Ni
- Crystal structure of 1-(2-(pyridin-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl)ethan-1-one, C14H12N4O2
- Synthesis and crystal structure of 3-N-acetyl-5-(pyridin-3-yl)-2-(quinolin-2-yl)-1,3,4-oxadiazoline, C18H14N4O2
- Crystal structure of 2-methyl-1H-perimidine, C12H10N2
- Crystal structure of (E)-2-(5,5-dimethyl-3-(4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)oxy)styryl)cyclohex-2-en-1-ylidene)malononitrile, C25H19N5O4
- Structural elucidation of 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione isolated from Bulbine latifolia (L.) Wild, C24H18O8
- Crystal structure of 3-cinnamoyl-4-hydroxybenzoic acid, C16H12O4
- The crystal structure of poly[bis(μ4-2,3-pyridinedicarboxylato)-(μ2-oxalyl dihydrazide)-dicadmium(II) dihydrate], C16H16O12N6Cd2
- Synthesis and crystal structure of 1-{4-[(3-bromo-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
- Synthesis and crystal structure of 1-{4-[(2-bromo-6-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
- Crystal structure of (4-aminobenzoato-κ2O,O′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′]nickel(II) perchlorate monohydrate, C23H44ClN5NiO7
- Crystal structure of 1-{4-[(4-fluoro-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12FNO2
- Preparation and crystal structure of a non-symmetrical vanadium(II) dimer: tri-μ2-bromido-(hydrogen-tris(3-isopropyl-4-bromopyrazol-1-yl)borato-κ3N,N′,N′′)-tris(tetrahydrofuran-κO)divanadium(II) – tetrahydrofuran (1/1), C34H57BBr6N6O4V2
- Crystal structure of bis{2-(((4-(1-(hydroxyl-imino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}cobalt(II), C30H26CoN4O4
- Crystal structure of 3-((3-nitrophenyl)sulfonamido)propanoic acid — 4,4′-bipyridine (1/1), C19H18N4O6S
- Crystal structure of cyclo[diaqua-bis(μ2-3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κ4O,O′:O′′,O′′′)-bis(4,4′-bis(pyrid-4-yl)biphenyl-K1N)dicadmium(II)], C76H52Cd2N4O18
- Crystal structure of 1-(adamantan-1-yl)-3-aminothiourea, C11H19N3S
- Crystal structure of catena-poly[triaqua-(μ2-1,4-di(pyridin-4-yl)benzene-κ2N:N′)-(3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κO)nickel(II)], C32H26N2O11Ni
- Crystal structure of catena-poly[aqua-(μ4-4,4′-(pyridine-3,5-diyl)dibenzoato-κ4O,O′:O′′:O′′′)zinc(II)], C19H13NO5Zn
- Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium 2-carboxy-4-(3,5-dicarboxyphenoxy)benzoate hydrate, C38H28N2O10
- Crystal structure of 3-[(triisopropylsilanyl)-ethynyl]-6a,12a-dihydro-1H-1,4-diaza-benzo[α]anthracene-2,7,12-trione, C27H28N2O3Si
- Crystal structure of [(bis(1,10-phenanthroline-κ2N,N′)-(2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O:O′))nickel(II) monohydrate, (1,10-phenanthroline-κ2N:N′)-(μ2-(5-(3′,4′-dicarboxylphenoxy)-isophthalate-κ2O:O′))nickel(II)], C40H24N4O9Ni ⋅ H2O
- Crystal structure of 4-(3-(pyridin-3-yl)ureido)benzoic acid — adipic acid (2/1), C16H16N3O5
- Crystal structure of poly[bis{μ2-5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2O:O′}-{μ2-4,4′-bipyridine-κ2N:N′}]cobalt(II), C40H30N2O8Co
- Crystal structure of aqua-(2,2′-bipyridine-κ2N,N′)(((3-nitrophenyl)sulfonyl)glycine-κ2N,O)copper(II) dihydrate, C18H20CuN4O9S
- Crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}copper(II), C32H28Br2CuN4O4
- Crystal structure of bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)zinc(II), C40H28Cl4N4O4Zn
- Crystal structure of 2-(3,6-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-oxoethyl acetate, C14H17NO4
- Crystal structure of poly[dibromido-bis(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2N:N′)cadmium(II)], C24H36Br2N8Cd
- Synthesis and crystal structure of ((6R,7S)-3-ethyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanone hemihydrate, 2(C19H18N4OS) ⋅ H2O
- Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6
- The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S
- Crystal structure of diacetato-κ1O-diethanol-κ1O-bis(μ2-2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenolato-κ4O,N,O′:O′′)dinickel(II), C28H42Ni2N2O12
- The crystal structure of catena-poly[chlorido-(μ2-1,4-bis(pyridin-3-yl-methoxy)benzene-κ2N:N′)copper(II)], C18H16ClN2O2Cu
- N′,N′′′-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methaneylylidene))bis(2-hydroxybenzohydrazide)nickel(II), C30H24N4NiO6
- Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2
- Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8
- The crystal structure of 1-carboxy-2-(1H-indol-3-yl)-N,N,N-trimethylethan-1-ammonium chloride, C14H19N2O2Cl
- The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3
- Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2
- Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2
- Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS
- Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh
- The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re
- Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2N:O)nickel(II)], C28H22O6N8Ni
- Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2
- The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3
- Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2
- Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn
- The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5
- Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O
- Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S
- Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC1)tin(IV), C20H30Cl2O2S2Sn
- Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O
- Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn
- Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n
- Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3
- Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6
- Crystal structure of hexanedihydrazide, C6H14N4O2
- Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5
- Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS
- Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O