Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2
Abstract
C23H17ClFN5S2, monoclinic, P21/c (no. 14), a = 20.9691(12) Å, b = 11.5316(6) Å, c = 9.2546(4) Å, β = 95.484(4)°, V = 2227.6(2) Å3, Z = 4, Rgt(F) = 0.0468, wRref(F2) = 0.1126, T = 296 K.
The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
Crystal: | Orange needle |
Size: | 0.31 × 0.22 × 0.09 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 3.9 cm−1 |
Diffractometer, scan mode: | SuperNova, ω-scans |
2θmax, completeness: | 59.6°, >83% (>99% for 2θmax = 50°) |
N(hkl)measured, N(hkl)unique, Rint: | 11261, 5322, 0.022 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 3684 |
N(param)refined: | 327 |
Programs: | CrysAlisPRO [8], SHELX [9], Platon [10] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
C1 | 0.56009(11) | 0.2098(2) | −0.0311(2) | 0.0600(6) |
C2 | 0.53105(12) | 0.1177(2) | −0.1040(3) | 0.0651(7) |
H2 | 0.5460 | 0.0428 | −0.0850 | 0.078* |
C3 | 0.47962(11) | 0.1365(2) | −0.2056(2) | 0.0590(6) |
H3 | 0.4592 | 0.0740 | −0.2540 | 0.071* |
C4 | 0.45845(10) | 0.24837(19) | −0.2355(2) | 0.0465(5) |
C5 | 0.48719(11) | 0.3395(2) | −0.1591(2) | 0.0579(6) |
H5 | 0.4721 | 0.4145 | −0.1768 | 0.070* |
C6 | 0.53831(11) | 0.3206(2) | −0.0558(3) | 0.0663(7) |
H6 | 0.5576 | 0.3824 | −0.0039 | 0.080* |
C7 | 0.33549(9) | 0.21842(18) | −0.5178(2) | 0.0430(5) |
C8 | 0.30299(9) | 0.13926(18) | −0.6074(2) | 0.0431(4) |
C9 | 0.31527(11) | 0.01195(19) | −0.6067(3) | 0.0584(6) |
H9A | 0.2752 | −0.0288 | −0.6211 | 0.088* |
H9B | 0.3373 | −0.0101 | −0.5151 | 0.088* |
H9C | 0.3412 | −0.0072 | −0.6834 | 0.088* |
C10 | 0.25614(9) | 0.29811(17) | −0.6930(2) | 0.0403(4) |
C11 | 0.17002(9) | 0.31616(17) | −0.8977(2) | 0.0427(4) |
H11 | 0.1951 | 0.2697 | −0.9605 | 0.051* |
C12 | 0.14817(10) | 0.42874(18) | −0.9765(2) | 0.0472(5) |
H12A | 0.1592 | 0.4285 | −1.0760 | 0.057* |
H12B | 0.1023 | 0.4397 | −0.9765 | 0.057* |
C13 | 0.18456(10) | 0.52095(17) | −0.8887(2) | 0.0442(5) |
C14 | 0.11712(9) | 0.24294(16) | −0.84667(19) | 0.0400(4) |
C15 | 0.10958(11) | 0.12884(18) | −0.8897(2) | 0.0536(5) |
H15 | 0.1383 | 0.0959 | −0.9483 | 0.064* |
C16 | 0.05969(13) | 0.0630(2) | −0.8464(3) | 0.0686(7) |
H16 | 0.0542 | −0.0138 | −0.8756 | 0.082* |
C17 | 0.01877(12) | 0.1139(2) | −0.7598(3) | 0.0680(7) |
C18 | 0.02503(12) | 0.2242(2) | −0.7120(3) | 0.0653(6) |
H18 | −0.0033 | 0.2556 | −0.6512 | 0.078* |
C19 | 0.07501(10) | 0.28905(19) | −0.7565(2) | 0.0516(5) |
H19 | 0.0804 | 0.3653 | −0.7249 | 0.062* |
S1 | 0.31014(2) | 0.36029(4) | −0.56204(5) | 0.04500(14) |
S2a | 0.23680(8) | 0.74034(13) | −0.84240(19) | 0.0727(5) |
C20a | 0.18176(10) | 0.64294(18) | −0.9238(2) | 0.0504(5) |
C21a | 0.1410(4) | 0.6970(7) | −1.0207(9) | 0.0762(18) |
H21a | 0.1096 | 0.6578 | −1.0794 | 0.091* |
C22a | 0.1492(4) | 0.8222(5) | −1.0277(11) | 0.0721(18) |
H22a | 0.1239 | 0.8734 | −1.0857 | 0.087* |
C23a | 0.1998(4) | 0.8499(5) | −0.9357(12) | 0.0766(18) |
H23a | 0.2138 | 0.9261 | −0.9238 | 0.092* |
S2Ab | 0.1231(2) | 0.6918(4) | −1.0543(5) | 0.0716(9) |
C20Ab | 0.18176(10) | 0.64294(18) | −0.9238(2) | 0.0504(5) |
C21Ab | 0.2191(5) | 0.7290(8) | −0.8785(13) | 0.072(2) |
H21Ab | 0.2516 | 0.7186 | −0.8039 | 0.086* |
C22Ab | 0.2082(9) | 0.8435(8) | −0.949(2) | 0.075(2) |
H22Ab | 0.2311 | 0.9119 | −0.9309 | 0.090* |
C23Ab | 0.1577(9) | 0.8248(9) | −1.045(2) | 0.074(3) |
H23Ab | 0.1416 | 0.8840 | −1.1060 | 0.089* |
N1 | 0.40778(8) | 0.27833(16) | −0.34273(17) | 0.0477(4) |
N2 | 0.38302(8) | 0.19125(15) | −0.41187(17) | 0.0461(4) |
N3 | 0.25676(8) | 0.18466(14) | −0.70601(17) | 0.0418(4) |
N4 | 0.21285(8) | 0.36295(14) | −0.77539(17) | 0.0443(4) |
N5 | 0.22023(8) | 0.48225(14) | −0.77839(18) | 0.0460(4) |
F1 | −0.03037(9) | 0.04929(17) | −0.7155(2) | 0.1153(7) |
Cl1 | 0.62511(3) | 0.18532(9) | 0.09640(8) | 0.0954(3) |
aOccupancy: 0.659(3); bOccupancy: 0.341(3).
Source of material
The title compound was synthesized by the reaction of 5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide and 1-chloro-1-((4-chlorophenyl)diazenyl)propan-2-one in ethanol containing two drops of triethylamine under reflux for 1.5 h. The solid obtained was filtered, dried and recrystallized from dimethylformamide to give orange crystals of the title compound (Mp 212–213 °C) [1].
Experimental details
The thiophenyl moiety is disordered and was refined with a ratio of 34.1(3)/65.9(3) with restrained geometry. All H atoms were placed in calculated positions and refined using a riding model. For the methyl groups, C—H bonds were fixed at 0.96 Å and Uiso set to 1.5Ueq(C) with free rotation around the C—C bond (HFIX 137 in SHELX [9]). For the rest of the hydrogens, Uiso was set to 1.2Ueq(C) with a distance of 0.93 Å for aromatic C—H. For CH and CH2 groups, the C—H distances were set to 0.98 and 0.97 Å respectively.
Discussion
Compounds bearing thiazole and pyrazole nuclei are found to have various antimicrobial activities such as antibacterial, antifungal and antitumor [1], [2], [3], [4], [5], [6], [7].
The asymmetric unit (cf. the figure) of the crystal structure consists of a molecule of C23H17ClFN5S2 with a disordered thiophenyl fragment. Apart from the fluorobenzene group, the rest of the molecule is essentially planar; the angles between the planes of neighbouring rings are 13° or less. The plane of the fluorobenzene is perpendicular (90.71(5)°) to the plane of the pyrazolinyl group. In the crystal, the molecules stack along [001] with interplanar distances of about 3.5 Å between glide-plane related molecules.
Acknowledgements
The authors extend their appreciation to the College of Applied Medical Sciences Research Centre and the Deanship of Scientific Research at King Saud University for funding and to Cardiff University for continued support.
References
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4 Yuan, J.-W.; Wang, S.-F.; Luo, Z.-L.; Qiu, H.-Y.; Wang, P.-F.; Zhang, X.; Yang, Y.-A.; Yin, Y.; Zhang, F.; Zhu, H.-L.: Synthesis and biological evaluation of compounds which contain pyrazole, thiazole and naphthalene ring as antitumor agents. Bioorg. Med. Chem. Lett. 24 (2014) 2324–2328.10.1016/j.bmcl.2014.03.072Suche in Google Scholar PubMed
5 Abdel-Wahab, B. F.; Abdel-Latif, E.; Mohamed, H. A., Awad, G. E. A.: Design and synthesis of new 4-pyrazolin-3-yl-1,2,3-triazoles and 1,2,3-triazol-4-yl-pyrazolin-1-ylthiazoles as potential antimicrobial agents. Eur. J. Med. Chem. 52 (2012) 263–268.10.1016/j.ejmech.2012.03.023Suche in Google Scholar PubMed
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©2016 Gamal A. El-Hiti et al., published by De Gruyter.
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.
Artikel in diesem Heft
- Cover and Frontmatter
- Editorial
- Twenty years of crystal structure publication and the road ahead
- Crystal Structures
- Crystal structure of poly-[triaqua-(μ4-5′-carboxy-[1,1′-biphenyl]-2,3,3′-tricarboxylate-κ6O1,O2:O3,O4:O5:O6)praseodymium(III), C16H13O11Pr
- Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3
- Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4
- Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine
- Crystal structure of 11-(p-coumaroyloxy)-tremetone, C22H20O5
- The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ1N)palladium(II) – ethyl acetate – water (1/1/1), C31H42Br2N4Pd
- Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2
- Crystal structure of 2-(5-(4-fluorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-4-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)thiazole, C29H25FN6S
- Crystal structure of poly-[aqua-(μ7-benzene-1,3,5-tricarboxylato)-(μ3-1,2,4-triazol-1-ido)dicobalt(II)], C11H7Co2N3O7
- Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C20H24O6
- Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C14H11N3S2
- Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C9H11BrN2S
- Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S
- Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C17H21BrN2O
- Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S
- Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b1,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C21H24N2O3
- Crystal structure of 2-amino-5-oxo-4-(3,4,5-trimethoxy-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C18H18N2O5
- Crystal structure of 1,2,3-trimethyl-2,3-dihydro-1H-perimidine, C14H16N2
- Crystal structure of bis(2,6-dihydroxymethyl)pyridine-κ3N,O,O′)-bis(μ2-6-chloropyridin-2-olato-κ3N,O:O)-bis(6-chloropyridin-2-olato-κO)-bis(nitrato-κ2O,O′)digadolinium(III), C34H30Cl4Gd2N8O14
- Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, C19H27NO3
- Crystal structure of 1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin-2-one, C19H14N2O4S
- Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba-nido-undecaborane-κ2P,P′)-(benzoato-κ2O,O′)nickel(II), C21H42B9NiO2P2
- Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C21H19NO3
- Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C13H14N2O6S2
- Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C13H14N2O3S
- Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2
- Crystal structure of di-μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]zinc(II), C52H108B20Cl2P4Zn2
- Crystal structure of dibromido-bis[μ-1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κN]mercury(II), C30H26Br2HgN10
- Crystal structure of bis(μ-nitrato-κ2O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]disilver(I) dicloromethane monosolvate, C54H64B20Cl4O6P4Ag2
- Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ2-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ4-O,N:N′,N′′(2−)]diiron(III) − dimethylformamide (1/1), C36H42Cl2Fe2N14O6
- Crystal structure of diaqua-dinitrato-κO-bis(4-(1H-pyrazol-3-yl)pyridine-κN)manganese(II), C16H18MnN8O8
- Crystal structure of (Z)-6-methoxy-2-(2,2,2-trifluoro-1-hydroxyethylidene)-2,3-dihydro-1H-inden-1-one, C12H6F6O3
- Crystal Structure of 4-(2-chloroacetamido)pyridinium chloride monohydrate, C7H10Cl2N2O2
- Crystal structure of 2-amino-4-(4-chloro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13ClN2O2
- Crystal structure of (E)-1-(2-(thiophen-2-ylmethylene)hydrazinyl)phthalazine hydrochloride–ethanol (1/1), C15H17ClN4OS
- Crystal structure of N,N-diethyl-5-bromo-3,4-dihydro-2,4-dioxopyrimidine-1(2H)-carboxamide, C9H12BrN3O3
- Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2
- Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S
- Crystal structure of 2-amino-4-(4-bromo-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H11BrN2O3
- Crystal structure of 4-(3,4-dimethyl-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C21H25NO3
- Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C23H26N2O3
- Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C60H72N2O12
- Crystal structure of catena-poly-{aqua-[μ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene-κ2N:N′]-[μ2-4,4′-(dimethylsilanediyl)dibenzato-κ3O,O′:O′]nickel(II)}, C30H30N4NiO5Si
- The crystal structure of 1-(4-bromophenyl)-2-(4-(4-fluorophenyl)piperazin-1-yl)ethanol, C18H20BrFN2O1
- Crystal structure of trimethylammonium 4-((4-carboxyphenyl)sulfonyl)benzoate, C17H19NO6S
- Crystal structure of syn-2,4-di-o-tolylpentane-2,4-diol, C19H24O2
- Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C15H7BrF6N2OS2
- Crystal structure of (E)-3-((naphthalen-1-ylimino)methyl)-4-nitrophenol, C17H12N2O3
- Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4
- Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanopalladate(II), C14H24N8Pd2
- Crystal structure of 2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid monohydrate, C5H7NO4S2
- Crystal structure of a P4-bridged (η5-pentamethyl-cyclopentadienyl)(η5-adamantylcyclopentadienyl) titanium(III)complex, C50H66P4Ti2
- Crystal structure of cis-bis(2,2′-bipyrimidine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C18H12N10NiS2
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)dibromidomanganese(II), C20H16Br2MnN4
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C22H16N6NiS2
- Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C10H24Br2N4Ni
- Crystal structure of cis-tetrabromidobis(pyridine-κN)platinum(IV), C10H10Br4N2Pt
- Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2
- The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C10H18Cl4CoN2O
Artikel in diesem Heft
- Cover and Frontmatter
- Editorial
- Twenty years of crystal structure publication and the road ahead
- Crystal Structures
- Crystal structure of poly-[triaqua-(μ4-5′-carboxy-[1,1′-biphenyl]-2,3,3′-tricarboxylate-κ6O1,O2:O3,O4:O5:O6)praseodymium(III), C16H13O11Pr
- Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3
- Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4
- Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine
- Crystal structure of 11-(p-coumaroyloxy)-tremetone, C22H20O5
- The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ1N)palladium(II) – ethyl acetate – water (1/1/1), C31H42Br2N4Pd
- Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2
- Crystal structure of 2-(5-(4-fluorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-4-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)thiazole, C29H25FN6S
- Crystal structure of poly-[aqua-(μ7-benzene-1,3,5-tricarboxylato)-(μ3-1,2,4-triazol-1-ido)dicobalt(II)], C11H7Co2N3O7
- Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C20H24O6
- Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C14H11N3S2
- Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C9H11BrN2S
- Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S
- Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C17H21BrN2O
- Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S
- Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b1,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C21H24N2O3
- Crystal structure of 2-amino-5-oxo-4-(3,4,5-trimethoxy-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C18H18N2O5
- Crystal structure of 1,2,3-trimethyl-2,3-dihydro-1H-perimidine, C14H16N2
- Crystal structure of bis(2,6-dihydroxymethyl)pyridine-κ3N,O,O′)-bis(μ2-6-chloropyridin-2-olato-κ3N,O:O)-bis(6-chloropyridin-2-olato-κO)-bis(nitrato-κ2O,O′)digadolinium(III), C34H30Cl4Gd2N8O14
- Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, C19H27NO3
- Crystal structure of 1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin-2-one, C19H14N2O4S
- Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba-nido-undecaborane-κ2P,P′)-(benzoato-κ2O,O′)nickel(II), C21H42B9NiO2P2
- Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C21H19NO3
- Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C13H14N2O6S2
- Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C13H14N2O3S
- Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2
- Crystal structure of di-μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]zinc(II), C52H108B20Cl2P4Zn2
- Crystal structure of dibromido-bis[μ-1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κN]mercury(II), C30H26Br2HgN10
- Crystal structure of bis(μ-nitrato-κ2O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]disilver(I) dicloromethane monosolvate, C54H64B20Cl4O6P4Ag2
- Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ2-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ4-O,N:N′,N′′(2−)]diiron(III) − dimethylformamide (1/1), C36H42Cl2Fe2N14O6
- Crystal structure of diaqua-dinitrato-κO-bis(4-(1H-pyrazol-3-yl)pyridine-κN)manganese(II), C16H18MnN8O8
- Crystal structure of (Z)-6-methoxy-2-(2,2,2-trifluoro-1-hydroxyethylidene)-2,3-dihydro-1H-inden-1-one, C12H6F6O3
- Crystal Structure of 4-(2-chloroacetamido)pyridinium chloride monohydrate, C7H10Cl2N2O2
- Crystal structure of 2-amino-4-(4-chloro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13ClN2O2
- Crystal structure of (E)-1-(2-(thiophen-2-ylmethylene)hydrazinyl)phthalazine hydrochloride–ethanol (1/1), C15H17ClN4OS
- Crystal structure of N,N-diethyl-5-bromo-3,4-dihydro-2,4-dioxopyrimidine-1(2H)-carboxamide, C9H12BrN3O3
- Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2
- Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S
- Crystal structure of 2-amino-4-(4-bromo-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H11BrN2O3
- Crystal structure of 4-(3,4-dimethyl-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C21H25NO3
- Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C23H26N2O3
- Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C60H72N2O12
- Crystal structure of catena-poly-{aqua-[μ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene-κ2N:N′]-[μ2-4,4′-(dimethylsilanediyl)dibenzato-κ3O,O′:O′]nickel(II)}, C30H30N4NiO5Si
- The crystal structure of 1-(4-bromophenyl)-2-(4-(4-fluorophenyl)piperazin-1-yl)ethanol, C18H20BrFN2O1
- Crystal structure of trimethylammonium 4-((4-carboxyphenyl)sulfonyl)benzoate, C17H19NO6S
- Crystal structure of syn-2,4-di-o-tolylpentane-2,4-diol, C19H24O2
- Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C15H7BrF6N2OS2
- Crystal structure of (E)-3-((naphthalen-1-ylimino)methyl)-4-nitrophenol, C17H12N2O3
- Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4
- Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanopalladate(II), C14H24N8Pd2
- Crystal structure of 2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid monohydrate, C5H7NO4S2
- Crystal structure of a P4-bridged (η5-pentamethyl-cyclopentadienyl)(η5-adamantylcyclopentadienyl) titanium(III)complex, C50H66P4Ti2
- Crystal structure of cis-bis(2,2′-bipyrimidine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C18H12N10NiS2
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)dibromidomanganese(II), C20H16Br2MnN4
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C22H16N6NiS2
- Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C10H24Br2N4Ni
- Crystal structure of cis-tetrabromidobis(pyridine-κN)platinum(IV), C10H10Br4N2Pt
- Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2
- The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C10H18Cl4CoN2O