Abstract
C24H25ClN2O2, orthorhombic, P212121 (no. 19), a = 5.9066(2) Å, b = 15.7928(3) Å, c = 21.7829(6) Å, V = 2031.95(10) Å3, Z = 4, Rgt(F) = 0.0319, wRref(F2) = 0.0838, T = 150(2) K.

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.
Data collection and handling.
| Crystal: | Colourless plate Size 0.21 × 0.10 × 0.03 mm |
| Wavelength: | Cu Kα radiation (1.54184 Å) |
| μ: | 18.4 cm−1 |
| Diffractometer, scan mode: | SuperNova, ω-scans |
| 2θmax, completeness: | 147.6°, >98% |
| N(hkl)measured, N(hkl)unique, Rint: | 7255, 3968, 0.020 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 3613 |
| N(param)refined: | 265 |
| Programs: | CrysAlisPRO [13], SHELX [14], WinGX [15], CHEMDRAW [16] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| C1 | 0.5633(4) | 0.96117(14) | 1.08808(11) | 0.0266(5) |
| H1 | 0.7236 | 0.9809 | 1.0918 | 0.032* |
| C2 | 0.5183(5) | 0.89733(14) | 1.14050(11) | 0.0329(5) |
| H2A | 0.3610 | 0.8765 | 1.1363 | 0.039* |
| H2B | 0.6200 | 0.8482 | 1.1345 | 0.039* |
| C3 | 0.3692(5) | 0.95721(16) | 1.23638(12) | 0.0334(6) |
| C4 | 0.6414(6) | 0.9787(2) | 1.32070(13) | 0.0448(7) |
| H4A | 0.7101 | 0.9242 | 1.3101 | 0.067* |
| H4B | 0.6320 | 0.9840 | 1.3655 | 0.067* |
| H4C | 0.7345 | 1.0247 | 1.3042 | 0.067* |
| C5 | 0.2545(6) | 1.0375(2) | 1.32561(14) | 0.0477(7) |
| H5A | 0.3153 | 1.0951 | 1.3282 | 0.072* |
| H5B | 0.2271 | 1.0157 | 1.3671 | 0.072* |
| H5C | 0.1119 | 1.0382 | 1.3026 | 0.072* |
| C6 | 0.5425(4) | 0.91177(14) | 1.02844(11) | 0.0262(5) |
| C7 | 0.7246(4) | 0.90766(15) | 0.98796(12) | 0.0296(5) |
| H7 | 0.8580 | 0.9390 | 0.9968 | 0.035* |
| C8 | 0.7159(4) | 0.85859(15) | 0.93468(12) | 0.0307(5) |
| H8 | 0.8417 | 0.8563 | 0.9076 | 0.037* |
| C9 | 0.5217(5) | 0.81369(14) | 0.92218(10) | 0.0276(5) |
| C10 | 0.3370(4) | 0.81533(15) | 0.96129(11) | 0.0274(5) |
| H10 | 0.2049 | 0.7833 | 0.9523 | 0.033* |
| C11 | 0.3487(4) | 0.86494(15) | 1.01423(11) | 0.0275(5) |
| H11 | 0.2223 | 0.8669 | 1.0412 | 0.033* |
| C12 | 0.4074(4) | 1.04095(14) | 1.08983(11) | 0.0259(5) |
| C13 | 0.4692(4) | 1.10383(13) | 1.14145(11) | 0.0261(5) |
| C14 | 0.3042(4) | 1.16086(15) | 1.16002(12) | 0.0302(5) |
| H14 | 0.1584 | 1.1586 | 1.1417 | 0.036* |
| C15 | 0.3481(5) | 1.22138(16) | 1.20493(12) | 0.0350(6) |
| H15 | 0.2332 | 1.2601 | 1.2169 | 0.042* |
| C16 | 0.5594(5) | 1.22496(16) | 1.23214(12) | 0.0352(6) |
| H16 | 0.5894 | 1.2654 | 1.2634 | 0.042* |
| C17 | 0.7270(5) | 1.16927(16) | 1.21362(12) | 0.0343(6) |
| H17 | 0.8726 | 1.1717 | 1.2320 | 0.041* |
| C18 | 0.6824(4) | 1.10974(15) | 1.16810(12) | 0.0314(5) |
| H18 | 0.7995 | 1.0726 | 1.1550 | 0.038* |
| C19 | 0.4242(4) | 1.08905(14) | 1.02868(11) | 0.0262(5) |
| C20 | 0.6204(5) | 1.13290(17) | 1.01401(12) | 0.0337(5) |
| H20 | 0.7448 | 1.1322 | 1.0417 | 0.040* |
| C22 | 0.6375(5) | 1.17801(18) | 0.95920(14) | 0.0385(6) |
| H22 | 0.7729 | 1.2077 | 0.9497 | 0.046* |
| C23 | 0.4576(5) | 1.17962(16) | 0.91871(12) | 0.0373(6) |
| H23 | 0.4696 | 1.2097 | 0.8811 | 0.045* |
| C24 | 0.2603(5) | 1.13720(17) | 0.93318(13) | 0.0370(6) |
| H24 | 0.1353 | 1.1389 | 0.9057 | 0.044* |
| C25 | 0.2438(4) | 1.09192(16) | 0.98791(12) | 0.0324(5) |
| H25 | 0.1077 | 1.0627 | 0.9974 | 0.039* |
| N1 | 0.5478(4) | 0.92760(13) | 1.20296(10) | 0.0337(5) |
| H1A | 0.6836 | 0.9268 | 1.2196 | 0.040* |
| N2 | 0.4156(4) | 0.98348(15) | 1.29458(11) | 0.0380(5) |
| O1 | 0.1736(3) | 0.95873(12) | 1.21521(8) | 0.0381(4) |
| O2 | 0.1771(3) | 1.01443(10) | 1.09648(8) | 0.0274(4) |
| H2 | 0.1622 | 0.9878 | 1.1296 | 0.041* |
| Cl1 | 0.51034(11) | 0.75092(4) | 0.85623(2) | 0.03654(15) |
Source of material
3-(2-(4-Chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dime thylurea was synthesized via double lithiation of 3-(2-(4-chlorophenyl)ethyl)-1,1-dimethylurea with excess tert-butyllithium (3.3 mole equivalents) at −60 °C in anhydrous tetrahydrofuran (THF) under an inert atmosphere. The dilithium reagent produced in-situ was allowed to react with a solution of benzophenone (2.2 mole equivalents) in THF, added via a syringe. The reaction mixture was stirred and allowed to warm up to room temperature over 2 h. Following work-up, the crude product was purified by column chromatography (silica gel) using a mixture of diethyl ether and hexane (1:3 by volume) to give the title compound (87%). Crystallization from a mixture of diethyl ether and ethyl acetate (4:1 by volume) gave colorless crystals, Mp 164–165 °C.
Experimental details
All hydrogen atoms were placed in calculated positions and refined using a riding model. Methyl C—H bonds were fixed at 0.98 Å and the groups were allowed to spin about the C—C bond with displacement parameters 1.5 times Ueq(C). Aromatic C—H distances were set to 0.95 Å and N—H set to 0.88 Å with Uiso set to 1.2 times the Ueq for the atoms to which they are bonded.
Discussion
Urea derivatives show various biological activities [1], [2], [3], [4]. They can be synthesized efficiently in high yields using simple procedures [4], [5], [6], [7]. Aromatic substituted ureas can be further easily substituted via lithiation followed by reactions with electrophiles [8], [9], [10], [11], [12].
In the crystal structure, the asymmetric unit comprises one molecule of C24H25ClN2O2. An intramolecular O—H⋯O hydrogen bond is observed in the molecule with an O2⋯O1 distance of 2.732(3) Å and O2—H2⋯O1 angle of 161.7°. Two weak intermolecular C—H⋯Cl interactions occur in the crystal structure (with geometry: C2⋯Cl1 = 3.806(3) Å, C2—H2a⋯Cl1 = 153.9° and C2⋯Cl1 = 3.733(3) Å, C2—H2b⋯Cl1 = 158.4°) leading to the formation of molecular chains along [100]. The structure is racemically twinned.
Funding source: Prince Sattam bin Abdulaziz University
Award Identifier / Grant number: 2015/01/5162
Funding statement: This project was supported by the Deanship of Scientific Research at Prince Sattam bin Abdulaziz University under the research project 2015/01/5162 and thanks are also due to Cardiff University for continued support.
Acknowledgements
This project was supported by the Deanship of Scientific Research at Prince Sattam bin Abdulaziz University under the research project 2015/01/5162 and thanks are also due to Cardiff University for continued support.
References
1. Kocyigit-Kaymakcioglu, B.; Celen, A. O.; Tabanca, N.; Ali, A.; Khan, S. I.; Khan, I. A.; Wedge, D. E.: Synthesis and biological activity of substituted urea and thiourea derivatives containing 1,2,4-triazole moieties. Molecules 18 (2013) 3562–3576.10.3390/molecules18033562Suche in Google Scholar PubMed PubMed Central
2. Wilson, A. A.; Garcia, A.; Houle, S.; Sadovski, O.; Vasdev, N.: Synthesis and application of isocyanates radiolabeled with carbon-11. Chem. Eur. J. 17 (2011) 259–264.10.1002/chem.201002345Suche in Google Scholar PubMed
3. Gennäs, G. B.; Mologni, L.; Ahmed, S.; Rajaratnam, M.; Marin, O.; Lindholm, N.; Viltadi, M.; Gambacorti-Passerini, C.; Scapozza, L.; Yli-Kauhaluoma, J.: Design, synthesis, and biological activity of urea derivatives as anaplastic lymphoma kinase inhibitors. Chem. Med. Chem. 6 (2011) 1680–1692.10.1002/cmdc.201100168Suche in Google Scholar PubMed
4. Chen, J.-N.; Wang, X.-F.; Li, T.; Wu, D.-W.; Fu, X.-B.; Zhang, G.-J.; Shen, X.-C.; Wang, H.-S. Design, synthesis, and biological evaluation of novel quinazolinyl-diaryl urea derivatives as potential anticancer agents. Eur. J. Med. Chem. 107 (2016) 12–25.10.1016/j.ejmech.2015.10.045Suche in Google Scholar PubMed
5. Carnaroglio, D.; Martina, K.; Palmisano, G.; Penoni, A.; Domini, C.; Cravotto, G. One-pot sequential synthesis of isocyanates and urea derivatives via a microwave-assisted Staudinger-aza-Wittig reaction. Beilstein J. Org. Chem. 9 (2013) 2378–2386.10.3762/bjoc.9.274Suche in Google Scholar PubMed PubMed Central
6. Vinogradova, E. V.; Fors, B. P.; Buchwald, S. L. Palladium-catalyzed cross-coupling of aryl chlorides and triflates with sodium cyanate: a practical synthesis of unsymmetrical ureas. J. Am. Chem. Soc. 134 (2012) 11132–11135.10.1021/ja305212vSuche in Google Scholar PubMed PubMed Central
7. Wu, C.; Cheng, H.; Liu, R.; Wang, Q.; Hao, Y.; Yu, Y.; Zhao, F. Synthesis of urea derivatives from amines and CO2 in the absence of catalyst and. Solvent. Green Chem. 12 (2010) 1811–1816.10.1039/c0gc00059kSuche in Google Scholar
8. Smith, K.; El-Hiti, G. A.; Alshammari, M. B.: Directed lithiation of N’-(2-(4-methoxyphenyl)ethyl)-N,N-dimethylurea and tert-butyl (2-(4-methoxyphenyl)ethyl)carbamate. Synthesis 46 (2014) 394–402.10.1055/s-0033-1338570Suche in Google Scholar
9. Smith, K.; El-Hiti, G. A.; Alshammari, M. B.: Control of site of lithiation of 3-(aminomethyl)pyridine derivatives. Synthesis 45 (2013) 3426–3434.10.1055/s-0033-1338547Suche in Google Scholar
10. Smith, K.; El-Hiti, G. A.; Alshammari, M. B.: Lithiation and substitution of N′-(ω-phenylalkyl)-N,N-dimethylureas. Synthesis 44 (2012) 20139–2022.10.1055/s-0031-1291008Suche in Google Scholar
11. Smith, K.; El-Hiti, G. A.; Alshammari, M. B.: Variation in the site of lithiation of 2-(2-methylphenyl)ethanamine derivatives. J. Org. Chem. 77 (2012) 11210–11215.10.1021/jo3023445Suche in Google Scholar PubMed
12. Smith, K.; El-Hiti, G. A.; Hegazy, A. S.: Lateral lithiation of N′-(2-methylbenzyl)-N,N-dimethylurea and N-(2-methylbenzyl)pivalamide: Synthesis of tetrahydroisoquinolines. Synthesis 42 (2010) 1371–1380.10.1055/s-0029-1219277Suche in Google Scholar
13. Agilent. CrysAlisPRO. Agilent Technologies, Yarnton, England, (2014).Suche in Google Scholar
14. Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Suche in Google Scholar PubMed
15. Farrugia, L. J.: WinGX and ORTEP for Windows: an update. J. Appl. Crystallogr. 45 (2012) 849–854.10.1107/S0021889812029111Suche in Google Scholar
16. Cambridge Soft. CHEMDRAW Ultra. Cambridge Soft Corporation, Cambridge, Massachusetts, USA, (2001).Suche in Google Scholar
©2016 Mohammed B. Alshammari 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