Abstract
C17H21ClN2S, orthorhombic, Pca21 (no. 29), a = 25.4796(11) Å, b = 6.7503(3) Å, c = 18.9971(9) Å, V = 3267.4(3) Å3, Z = 8, Rgt(F) = 0.045, wRref(F2) = 0.106, T = 293(2).

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 0.57 × 0.13 × 0.07 mm |
| Wavelength: | Cu Kα radiation (1.54178 Å) |
| μ: | 32.1 cm−1 |
| Diffractometer, scan mode: | Bruker APEX-II, φ and ω |
| 2θmax, completeness: | 125°, >99% |
| N(hkl)measured, N(hkl)unique, Rint: | 10037, 4231, 0.075 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 3598 |
| N(param)refined: | 395 |
| Programs: | SHELX [23, 25], Bruker programs [24] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| Cl1A | 0.49654(5) | 0.5878(3) | 0.32784(14) | 0.1091(7) |
| S1A | 0.68656(4) | 0.67589(18) | 0.42702(5) | 0.0419(3) |
| N1A | 0.76395(12) | 0.6589(6) | 0.33097(17) | 0.0412(9) |
| N2A | 0.69442(13) | 0.4632(6) | 0.31012(18) | 0.0408(8) |
| C1A | 0.80128(14) | 0.8022(7) | 0.36347(18) | 0.0352(9) |
| C2A | 0.84834(16) | 0.8198(9) | 0.3131(2) | 0.0592(14) |
| H2AA | 0.8646 | 0.6910 | 0.3070 | 0.071* |
| H2AB | 0.8364 | 0.8653 | 0.2674 | 0.071* |
| C3A | 0.88835(17) | 0.9656(10) | 0.3428(2) | 0.0600(15) |
| H3AA | 0.9181 | 0.9752 | 0.3103 | 0.072* |
| C4A | 0.8645(2) | 1.1674(10) | 0.3520(3) | 0.0713(17) |
| H4AA | 0.8530 | 1.2184 | 0.3069 | 0.086* |
| H4AB | 0.8903 | 1.2579 | 0.3713 | 0.086* |
| C5A | 0.8180(2) | 1.1508(8) | 0.4018(4) | 0.0676(17) |
| H5AA | 0.8019 | 1.2815 | 0.4077 | 0.081* |
| C6A | 0.77735(16) | 1.0064(7) | 0.3710(3) | 0.0534(12) |
| H6AA | 0.7470 | 0.9998 | 0.4018 | 0.064* |
| H6AB | 0.7658 | 1.0536 | 0.3254 | 0.064* |
| C7A | 0.82129(17) | 0.7287(7) | 0.4339(2) | 0.0452(10) |
| H7AA | 0.8376 | 0.5999 | 0.4280 | 0.054* |
| H7AB | 0.7921 | 0.7144 | 0.4663 | 0.054* |
| C8A | 0.86106(18) | 0.8738(8) | 0.4639(2) | 0.0527(13) |
| H8AA | 0.8732 | 0.8254 | 0.5098 | 0.063* |
| C9A | 0.8362(2) | 1.0737(9) | 0.4731(3) | 0.0689(16) |
| H9AA | 0.8614 | 1.1650 | 0.4935 | 0.083* |
| H9AB | 0.8065 | 1.0637 | 0.5049 | 0.083* |
| C10A | 0.90804(16) | 0.8919(9) | 0.4140(3) | 0.0556(13) |
| H10A | 0.9335 | 0.9844 | 0.4331 | 0.067* |
| H10B | 0.9250 | 0.7641 | 0.4086 | 0.067* |
| C11A | 0.71667(14) | 0.5983(6) | 0.35278(18) | 0.0329(9) |
| C12A | 0.64287(14) | 0.3841(7) | 0.3155(2) | 0.0376(9) |
| C13A | 0.59943(15) | 0.5096(8) | 0.3215(2) | 0.0443(10) |
| H13A | 0.6039 | 0.6460 | 0.3250 | 0.053* |
| C14A | 0.55054(16) | 0.4290(8) | 0.3221(3) | 0.0520(12) |
| C15A | 0.54230(17) | 0.2287(8) | 0.3175(3) | 0.0567(13) |
| H15A | 0.5084 | 0.1775 | 0.3178 | 0.068* |
| C16A | 0.5843(2) | 0.1070(8) | 0.3125(3) | 0.0606(13) |
| H16A | 0.5793 | −0.0292 | 0.3093 | 0.073* |
| C17A | 0.63533(17) | 0.1846(7) | 0.3119(3) | 0.0499(11) |
| H17A | 0.6640 | 0.0999 | 0.3092 | 0.060* |
| Cl1B | 0.92718(5) | 0.3868(3) | 0.63196(9) | 0.0822(5) |
| S1B | 0.71517(4) | 0.29413(18) | 0.69106(5) | 0.0457(3) |
| N1B | 0.66477(13) | 0.3483(6) | 0.56782(19) | 0.0426(9) |
| N2B | 0.73437(14) | 0.5480(7) | 0.5876(2) | 0.0490(10) |
| C1B | 0.62103(13) | 0.2054(6) | 0.5755(2) | 0.0341(9) |
| C2B | 0.58598(16) | 0.2555(8) | 0.6384(2) | 0.0480(11) |
| H2BA | 0.5730 | 0.3901 | 0.6343 | 0.058* |
| H2BB | 0.6058 | 0.2449 | 0.6818 | 0.058* |
| C3B | 0.53941(17) | 0.1074(9) | 0.6392(3) | 0.0601(15) |
| H3BA | 0.5169 | 0.1354 | 0.6798 | 0.072* |
| C4B | 0.50751(16) | 0.1298(9) | 0.5716(3) | 0.0582(13) |
| H4BA | 0.4944 | 0.2642 | 0.5677 | 0.070* |
| H4BB | 0.4777 | 0.0402 | 0.5724 | 0.070* |
| C5B | 0.54266(16) | 0.0819(10) | 0.5086(2) | 0.0590(15) |
| H5BA | 0.5225 | 0.0961 | 0.4650 | 0.071* |
| C6B | 0.58902(18) | 0.2260(10) | 0.5076(2) | 0.0586(14) |
| H6BA | 0.5762 | 0.3607 | 0.5033 | 0.070* |
| H6BB | 0.6112 | 0.1981 | 0.4674 | 0.070* |
| C7B | 0.5604(2) | −0.1019(9) | 0.6448(3) | 0.0701(17) |
| H7BA | 0.5809 | −0.1155 | 0.6876 | 0.084* |
| H7BB | 0.5315 | −0.1949 | 0.6470 | 0.084* |
| C8B | 0.59439(18) | −0.1473(8) | 0.5815(4) | 0.0646(15) |
| H8BA | 0.6075 | −0.2835 | 0.5851 | 0.078* |
| C9B | 0.64090(16) | −0.0040(7) | 0.5809(3) | 0.0534(12) |
| H9BA | 0.6613 | −0.0196 | 0.6237 | 0.064* |
| H9BB | 0.6635 | −0.0332 | 0.5411 | 0.064* |
| C10B | 0.5625(2) | −0.1261(10) | 0.5146(3) | 0.0749(19) |
| H10C | 0.5842 | −0.1576 | 0.4742 | 0.090* |
| H10D | 0.5332 | −0.2176 | 0.5155 | 0.090* |
| C11B | 0.70381(14) | 0.3980(7) | 0.61204(19) | 0.0354(9) |
| C12B | 0.78326(15) | 0.6087(7) | 0.6165(2) | 0.0384(10) |
| C13B | 0.82562(16) | 0.4809(8) | 0.6141(2) | 0.0455(10) |
| H13B | 0.8217 | 0.3521 | 0.5975 | 0.055* |
| C14B | 0.87362(15) | 0.5480(8) | 0.6368(2) | 0.0486(12) |
| C15B | 0.88093(18) | 0.7342(9) | 0.6609(2) | 0.0537(13) |
| H15B | 0.9139 | 0.7764 | 0.6755 | 0.064* |
| C16B | 0.8381(2) | 0.8615(8) | 0.6633(2) | 0.0549(13) |
| H16B | 0.8423 | 0.9899 | 0.6801 | 0.066* |
| C17B | 0.78942(17) | 0.7983(7) | 0.6410(2) | 0.0462(11) |
| H17B | 0.7609 | 0.8839 | 0.6426 | 0.055* |
| H1NB | 0.6668(15) | 0.419(7) | 0.530(2) | 0.029(11)* |
| H2NB | 0.724(2) | 0.612(8) | 0.554(3) | 0.056(16)* |
| H2NA | 0.7105(17) | 0.429(7) | 0.270(3) | 0.042(12)* |
| H1NA | 0.7738(17) | 0.600(7) | 0.294(3) | 0.040(12)* |
Source of material
3-Chlorophenyl isothiocyanate (1.70 g, 0.01 mol) was added to a solution of 1-adamantylamine (1.51 g, 0.01 mol), in ethanol (15 mL). The mixture was heated under reflux for 3 h. On cooling, the precipitated crude product was filtered, dried and crystallized from ethanol to yield 2.79 g (87%) of the title compound (C17H21ClN2S) as transparent plate crystals. M.P.: 444–446 K. Single crystals suitable for X-ray diffraction were obtained by slow evaporation of a solution of the title compound in ethanol:chloroform (1:1) at room temperature. 1H NMR (CDCl3, 700.17 MHz): δ 1.60–1.72 (m, 6H, adamantane-H), 2.08.2.10 (s, 3H, adamantane-H), 2.14 (s, 6H, adamantane-H), 6.02 (s, 1H, NH), 7.14 (s, 1H, Ar—H), 7.24–7.35 (m, 3H, Ar—H), 7.7 (s, 1H, NH). 13C NMR (CDCl3, 176.08 MHz): δ 29.54, 36.28, 41.29, 54.96 (adamantane-C), 122.71, 124.74, 126.74, 130.92, 135.51, 138.09 (Ar—C), 178.39 (C = S). ESI-MS m/z: 319.2 (M—H, 100%)−, 321.2 (M + 2-H, 33%)−.
Experimental details
Carbon-bound hydrogen atoms were placed in calculated positions and were included in the refinement in the riding model approximation, with Uiso(H) set to 1.2Ueq(C). The Flack parameter was refined to −0.002(19).
Discussion
Thiourea derivatives were reported to possess diverse biological properties such as antitumor [1], antiviral [2], antimalarial [3] and antimicrobial [4] activities. In addition, adamantanyl moiety represents the major pharmacophore of various antiviral drugs as amantadine , [5], [6], [7], rimantadine [8, 9] and tromantadine [10]. Moreover, several adamantane-based drugs are currently utilized as important therapies against malaria infections [11], central nervous disorders , [12], [13], [14], hyperglycaemia [15] and drug-resistant TB strain infections [16]. As a part of our current research interest in the chemotherapeutic properties of adamantane derivatives , [17], [18], [19] and the molecular structural of adamantyl thiourea analogues , [20], [21], [22], we report herein the synthesis and crystal title structure.
The asymmetric unit cell of the title structure contains two independent molecules. All bond lengths and angles are in the expected ranges. The molecules are packed in the crystal structure via five intermolecular hydrogen bonds, N1B—H1NB⋯S1A, N2B—H2NB⋯S1A, N2A—H2NA⋯S1Bi, N1A—H1NA⋯S1Bi and C4A—H4AA⋯S1Bii. The H⋯A distances are 2.66(4), 2.63(6), 2.58(5), 2.86(5) and 2.85 Å, respectively and the angles are 169(3), 157(5), 157(4), 160 and 159°, respectively. Symmetry codes: (i) − x + 3/2, y, z−1/2; (ii) − x + 3/2, y + 1, z−1/2.
Acknowledgements:
The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for funding this work through the Research Group Project No. PRG-1436-23.
References
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©2016 Fatmah A. M. Al-Omary et al., published by De Gruyter.
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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