Crystal structure of (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H42O2
Abstract
C36H42O2, monoclinic, P21/n (no. 4), a = 9.0092(8) Å, b = 9.4264(11) Å, c = 17.2712(16) Å, β = 96.156(8)°, V = 1458.3(3) Å3, Z = 2, R gt (F) = 0.0509, wR ref (F 2) = 0.1272, T = 150.00(10) K.
The molecular structure is shown in the figure. 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: | 0.15 × 0.12 × 0.10 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 0.07 mm−1 |
| Diffractometer, scan mode: | SuperNova, ω |
| θ max, completeness: | 29.6°, >99 % |
| N(hkl)measured, N(hkl)unique, R int: | 7892, 5103, 0.032 |
| Criterion for I obs, N(hkl)gt: | I obs > 2σ(I obs), 4133 |
| N(param)refined: | 358 |
| Programs: | Bruker [1], Olex2 [2], SHELX [3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | U iso*/U eq |
|---|---|---|---|---|
| O1 | 1.2032 (3) | 1.2494 (3) | 0.81003 (18) | 0.0711 (9) |
| O2 | 0.2507 (2) | 0.5433 (3) | 0.81200 (14) | 0.0449(6) |
| H2 | 0.219124 | 0.459772 | 0.806092 | 0.067* |
| C1 | 0.9622 (3) | 1.0029 (3) | 0.88912 (16) | 0.0348 (7) |
| C2 | 1.0859 (3) | 1.0670 (4) | 0.87196 (18) | 0.0390 (7) |
| H2A | 1.178939 | 1.032478 | 0.895626 | 0.047* |
| C3 | 1.0872 (4) | 1.1864 (4) | 0.8194 (2) | 0.0455(8) |
| C4 | 0.9397 (4) | 1.2357 (4) | 0.7810 (2) | 0.0537 (9) |
| H4A | 0.953343 | 1.276495 | 0.729406 | 0.064* |
| H4B | 0.900589 | 1.311460 | 0.812955 | 0.064* |
| C5 | 0.8264 (3) | 1.1148 (4) | 0.77064 (19) | 0.0429(8) |
| H5A | 0.858381 | 1.046535 | 0.732152 | 0.051* |
| H5B | 0.728358 | 1.153777 | 0.749456 | 0.051* |
| C6 | 0.8087 (3) | 1.0362 (3) | 0.84652 (17) | 0.0324 (6) |
| C7 | 0.7246 (3) | 0.8941 (3) | 0.82665 (15) | 0.0285 (6) |
| H7 | 0.786208 | 0.842067 | 0.791044 | 0.034* |
| C8 | 0.5699 (3) | 0.9158 (4) | 0.77934 (18) | 0.0400 (8) |
| H8A | 0.509288 | 0.979704 | 0.808837 | 0.048* |
| H8B | 0.584289 | 0.963091 | 0.729520 | 0.048* |
| C9 | 0.4842 (3) | 0.7785 (4) | 0.76198 (17) | 0.0372 (7) |
| H9A | 0.535819 | 0.720419 | 0.725348 | 0.045* |
| H9B | 0.382830 | 0.800532 | 0.736822 | 0.045* |
| C10 | 0.4721 (3) | 0.6947 (3) | 0.83653 (16) | 0.0311 (7) |
| C11 | 0.6315 (3) | 0.6634 (3) | 0.87498 (16) | 0.0307 (6) |
| H11 | 0.685280 | 0.614215 | 0.834911 | 0.037* |
| C12 | 0.7194 (3) | 0.7970 (3) | 0.89798 (16) | 0.0312 (6) |
| H12 | 0.668505 | 0.848820 | 0.938240 | 0.037* |
| C13 | 0.8798 (3) | 0.7617 (4) | 0.93202 (18) | 0.0441(8) |
| H13A | 0.877177 | 0.701516 | 0.978805 | 0.053* |
| H13B | 0.930036 | 0.707492 | 0.893215 | 0.053* |
| C14 | 0.9686 (4) | 0.8962 (4) | 0.95394 (18) | 0.0470 (9) |
| H14A | 0.929420 | 0.940264 | 0.999630 | 0.056* |
| H14B | 1.074170 | 0.870207 | 0.969297 | 0.056* |
| C15 | 0.6085 (3) | 0.5531 (4) | 0.93776 (17) | 0.0396 (7) |
| H15A | 0.593959 | 0.600034 | 0.987677 | 0.048* |
| H15B | 0.695621 | 0.488804 | 0.946174 | 0.048* |
| C16 | 0.4669 (3) | 0.4704 (4) | 0.90588 (17) | 0.0388 (7) |
| H16A | 0.390049 | 0.476272 | 0.942648 | 0.047* |
| H16B | 0.490925 | 0.369278 | 0.897994 | 0.047* |
| C17 | 0.4096 (3) | 0.5419 (3) | 0.82644 (16) | 0.0329 (7) |
| C18 | 0.4712 (3) | 0.4659 (3) | 0.76245 (17) | 0.0346 (7) |
| C19 | 0.5143 (3) | 0.4001 (4) | 0.71026 (17) | 0.0362 (7) |
| C20 | 0.5606 (3) | 0.3207 (3) | 0.64661 (16) | 0.0334 (7) |
| C21 | 0.4932 (3) | 0.1919 (4) | 0.62434 (19) | 0.0425 (8) |
| H21 | 0.414510 | 0.156534 | 0.651396 | 0.051* |
| C22 | 0.5396 (4) | 0.1153 (4) | 0.5635 (2) | 0.0514 (9) |
| H22 | 0.491481 | 0.028079 | 0.549073 | 0.062* |
| C23a | 0.8488 (7) | 0.0259 (9) | 0.4648 (3) | 0.045 (2) |
| H23a | 0.920186 | 0.106665 | 0.462584 | 0.054* |
| C24 | 0.6744 (3) | 0.3682 (4) | 0.6054 (2) | 0.0444 (8) |
| H24 | 0.722190 | 0.455946 | 0.618990 | 0.053* |
| C25 | 0.7191 (4) | 0.2885 (5) | 0.5444 (2) | 0.0544 (10) |
| H25 | 0.797351 | 0.323029 | 0.516805 | 0.065* |
| C26 | 0.7034 (6) | 0.0762 (6) | 0.4571 (2) | 0.0873 (17) |
| H26Ab | 0.613865 | 0.061642 | 0.419443 | 0.105* |
| H26Bb | 0.771532 | 0.138041 | 0.430974 | 0.105* |
| H26Ca | 0.635732 | −0.006365 | 0.448355 | 0.105* |
| H26Da | 0.689500 | 0.135339 | 0.409526 | 0.105* |
| C27 | 0.6533 (4) | 0.1614 (4) | 0.52299 (19) | 0.0528 (10) |
| C28b | 0.7743 (11) | −0.0566 (11) | 0.4667(4) | 0.039 (3) |
| H28b | 0.697844 | −0.132982 | 0.468943 | 0.047* |
| C29 | 0.8691 (4) | −0.0847 (7) | 0.3959 (2) | 0.0860 (18) |
| H29Da | 0.974420 | −0.088345 | 0.386580 | 0.129* |
| H29Ea | 0.808635 | −0.054081 | 0.348265 | 0.129* |
| H29Fa | 0.836566 | −0.179096 | 0.410822 | 0.129* |
| H29Ab | 0.974613 | −0.064832 | 0.412125 | 0.129* |
| H29Bb | 0.833468 | −0.022602 | 0.352306 | 0.129* |
| H29Cb | 0.857695 | −0.183992 | 0.379524 | 0.129* |
| C30 | 0.8918 (5) | −0.0647 (6) | 0.5410 (2) | 0.0713 (14) |
| C31 | 0.8332 (5) | −0.1826 (7) | 0.5761 (3) | 0.0878 (18) |
| H31 | 0.742351 | −0.223130 | 0.553244 | 0.105* |
| C32 | 0.9059(5) | −0.2426 (6) | 0.6445 (3) | 0.0761 (13) |
| H32 | 0.864226 | −0.322464 | 0.667876 | 0.091* |
| C33 | 1.0349 (5) | −0.1856 (5) | 0.6764 (2) | 0.0685 (12) |
| H33 | 1.086561 | −0.227249 | 0.721576 | 0.082* |
| C34 | 1.0910 (4) | −0.0705 (6) | 0.6448 (3) | 0.0722 (13) |
| H34 | 1.180608 | −0.029244 | 0.668749 | 0.087* |
| C35 | 1.0200 (5) | −0.0108 (5) | 0.5775 (2) | 0.0721 (12) |
| H35 | 1.062634 | 0.070698 | 0.556198 | 0.086* |
| C36 | 0.7239 (4) | 1.1293 (4) | 0.9002 (2) | 0.0537 (10) |
| H36A | 0.628570 | 1.159113 | 0.872269 | 0.081* |
| H36B | 0.783923 | 1.213229 | 0.915914 | 0.081* |
| H36C | 0.705281 | 1.074919 | 0.946498 | 0.081* |
| C37 | 0.3762 (3) | 0.7752 (4) | 0.8905 (2) | 0.0473 (8) |
| H37A | 0.376189 | 0.723601 | 0.939716 | 0.071* |
| H37B | 0.273679 | 0.782953 | 0.865353 | 0.071* |
| H37C | 0.417549 | 0.870345 | 0.900665 | 0.071* |
-
aOccupancy: 0.590(12), bOccupancy: 0.410(12).
1 Source of materials
The compound was synthesized according to the procedure in our previous work [4]. A mixture of 1-bromo-4-(2-phenylpropyl)benzene (137.0 mg, 0.5 mmol), ethisterone (234.2 mg, 0.75 mmol), bis(triphenylphosphine)palladium(II) chloride (35.1 mg, 0.05 mmol), CuI (19.0 mg, 0.1 mmol), and triethylamine (1.0 mL) in anhydrous MeCN (1.5 mL) was added to a reaction bottle (30 mL). The solution was stirred under nitrogen at 70 °C. After 8 h, the mixture was poured into water and extracted with ethyl acetate (20.0 × 3). The combined organic layer was washed with brine (10 mL), dried over MgSO4, filtered, and concentrated. The crude products were purified by flash column chromatography using petroleum ether/ethyl acetate (10/1, v/v) to give the title compound (197.5 mg, 0.39 mmol). The solid product was recrystallized from a mixture of ethyl acetate and petroleum ether (v/v, 1/20, 20 mL). Colorless block crystals were obtained after 3 days.
2 Experimental details
Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms.
3 Comment
Chiral compounds are important substances in the construction of living organisms and are widely found in natural products, active compounds and drugs [5]. Despite no differences in physical and chemical properties, several enantiomers have been reported to differ significantly in pharmacological activity, metabolic processes, metabolic rates, and toxicity [6, 7]. Progestrel is a progesterone, which can transform the proliferative endometrium into secretory phase and promote mammary gland development, and its importance has been well known to the public. As part of our current research interest in progesterone compounds, we report here the molecular structure of a novel chiral acetylgestrel derivative.
The asymmetric unit of the title compound contains (8R,9S, 10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one. The single-crystal structure is shown in the figure. All bond lengths and angles of this molecule are in the expected ranges [8, 9].
Funding source: National Natural Science Foundation of China
Award Identifier / Grant number: 22001197
Funding source: Young Scientific and Technological Talent Support Project of Jiangmen
Award Identifier / Grant number: 31117016
Funding source: Foundation of the Department of Education of Guangdong Province
Award Identifier / Grant number: 2021KTSCX140
Award Identifier / Grant number: 2019KZDXM052
Acknowledgments
This work was financially supported by National Natural Science Foundation of China (22001197), Young Scientific and Technological Talent Support Project of Jiangmen (31117016), and Foundation of the Department of Education of Guangdong Province (2021KTSCX140 and 2019KZDXM052).
-
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
-
Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
-
Research funding: National Natural Science Foundation of China (22001197), Young Scientific and Technological Talent Support Project of Jiangmen (31117016), and Foundation of the Department of Education of Guangdong Province (2021KTSCX140 and 2019KZDXM052).
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© 2024 the author(s), published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 International License.
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- The crystal structure of tetrakis(μ 2-(1H-benzimidazole-2-methoxo-κ2 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4
- Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn
- The crystal structure of 1-(4-carboxybutyl)-3-methyl-1H-imidazol-3-ium hexafluoridophosphate, C9H15F6N2O2P
- Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3
- Crystal structure of dimethyl (R)-2-(3-(1-phenylethyl)thioureido)-[1,1′-biphenyl]-4,4′-dicarboxylate, C25H24N2O4S
- The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3
- Synthesis and crystal structure of dimethyl 4,4′-(propane-1,3-diylbis(oxy))dibenzoate, C19H20O6
- Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2
- The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS
- The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C15H8F4N2O3
Articles in the same Issue
- Frontmatter
- New Crystal Structures
- The crystal structure of tris((Z)-2-hydroxy-N-((E)-pyridin-2-ylmethylene)benzohydrazonato-k2O,N)europium(III), C39H30N9O6Eu
- Crystal structure of (E)-3-(benzylideneamino)-2-phenylthiazolidin-4-one, C16H14N2OS
- The crystal structure of (E)-4-fluoro-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H15FN2O
- Crystal structure of (6-chloropyridin-3-yl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
- Crystal structure of methyl 3-methoxy-4-(2-methoxy-2-oxoethoxy)benzoate, C12H14O6
- The crystal structure of bis[(4-methoxyphenyl)(picolinoyl)amido-κ2 N:N′]copper(II), C26H22CuN4O4
- The crystal structure of poly[di(μ2-aqua)-diaqua-bis(3-aminopyridine-4-carboxylate-κ2 O: O′)-tetra(μ2-3-aminopyridine-4-carboxylate-κ2 O: O′)-dineodymium(III), [Nd2(C6H5N2O2)6(H2O)4] n
- The crystal structure of t-butyl 7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate, C28H34FNO4
- Crystal structure of catena-poly[(benzylamine-κ1 N)-(sorbato-κ1 O)-(μ2-sorbato-κ2 O,O′)-copper(II), C19H23CuNO4
- Crystal structure of (4-(2-chlorophenyl)-1H-pyrrol-3-yl)(ferrocenyl) methanone, C21H16ClFeNO
- The crystal structure of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)-2-sulfanylprop-2-enamide hydrate, C19H17BrN2O2S2
- The crystal structure of N′-{5-[2-(2,6-dimethylphenoxy) acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide hydrate
- Crystal structure of 2-(naphthalen-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C26H24O3
- Crystal structure of naphthalen-1-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C25H22O3
- Crystal structure of poly[diaqua- (μ4-5-(1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ5N:O,O’:O’’:O’’’)calcium(II), C10H9CaN3O6
- Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide, C14H19N3O2
- Crystal structure of (E)-3-(dimethylamino)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one, C13H17NO4
- Crystal structure of (2-chloropyridin-3-yl)methyl-2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
- The crystal structure of diethyl 4-(3,4-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C21H27NO4
- Crystal structure of (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H42O2
- Synthesis and crystal structure of 4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C15H13N3S
- Crystal structure of catena-poly[aqua-(2,6-di-(2-pyridyl)-pyridine-κ3 N,N′, N″)(μ2-1,4-naphthalene dicarboxylato-κ2 O,O′)nickel(II)], C27H19NiN3O5
- Crystal structure of 3-(diphenylphosphoryl)-3-hydroxy-1-phenylpropan-1-one, C21H19O3P
- The crystal structure of R,S-{N-[(2-oxidonaphthalen-1-yl)methylidene]phenylglycinato}divinylsilicon, C23H19NO3Si
- The crystal structure of 1,2,4-tris(bromomethyl)benzene, C9H9Br3
- Crystal structure of chlorido-[4-(pyridin-2-yl)benzaldehyde-κ2 N,C]-(diethylamine-κ1 N)platinum(II), C16H18ClN2OPt
- Crystal structure of 3-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indol-2-ium chloride hydrate, C40H48Cl2N4O9
- The crystal structure of 1-(2-chlorobenzyl)-3-(3-chlorophenyl)urea, C14H12Cl2N2O
- Hydrothermal synthesis and crystal structure of aqua-tris(4-acetamidobenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)terbium(III) hydrate C39H36N5O11Tb
- The crystal structure of zwitterionic 3-aminoisonicotinic acid, C6H6N2O2
- The crystal structure of bis{[monoaqua-μ2-4-[(pyridine-4-carbonyl)-amino]-phthalato-κ3 N:O,O′-(2,2′-bipyridine κ2 N,N′)copper(II)]}decahydrate, C48H56N8O22Cu2
- Crystal structure of poly[μ10-4,4′-methylene-bis(oxy)benzoatodipotassium], C15H10K2O6
- The crystal structure of catena-poly[[tetraaqua[(μ2-1,4-di(4-methyl-1-imidazolyl)benzene] cobalt(II)]bis(formate)], C16H24CoN4O8
- The crystal structure of (E)-2-chloro-5-((2-(nitromethylene)imidazolidin-1-yl)methyl)pyridine, C10H11ClN4O2
- The crystal structure of (E)-1-(((2-amino-4,5-dimethylphenyl)iminio)methyl)naphthalen-2-olate, C19H18N2O
- Crystal structure of N-(acridin-9-yl)-2-(4-methylpiperidin-1-yl) acetamide monohydrate, C21H25N3O2
- The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2 O,O′)-zinc(II), C14H20Cl2N4O4Zn
- The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2
- The crystal structure of 5-tert-butyl-2-(5-tert-butyl-3-iodo-benzofuran-2-yl)-3-iodobenzofuran, C24H24I2O2
- Synthesis and crystal structure of methyl 2-{[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazole-3-yl]thio} acetate, C18H17N3O2S
- The crystal structure of n-propylammonium bis(2,3-dimethylbutane-2,3-diolato)borate-boric acid (1/1), [C3H10N][C12H24BO4]·B(OH)3
- Crystal structure of methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C19H17BrN2O2
- Crystal structure of (4-bromobenzyl)triphenylphosphonium bromide ethanol solvate, C52H48Br4OP2
- The crystal structure of unsymmetrical BOPHY C26H27BN4
- The crystal structure of Tb3B5O11(OH)2
- The crystal structure of (Z)-4-ethyl-2-((4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3,5-dimethyl-2H-pyrrol-1-ium 2,2'-spirobi[naphtho[1,8-de][1,3,2]dioxaborinin]-2-uide, C37H37BN2O4
- Crystal structure of bis(methylammonium) hexadecaselenidopalladate(II), (CH3NH3)2PdSe16
- The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C31H26NO4P
- Crystal structure of (E)-6-(4-ethylpiperazin-1-yl)-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C23H25FN2O
- The structure of RUB-56, (C6H16N)8 [Si32O64(OH)8]·32 H2O, a hydrous layer silicate (2D-zeolite) that contains microporous levyne-type silicate layers
- Crystal structure of 4-amino-3,5-dibromobenzonitrile, C7H4Br2N2
- Crystal structure of 2-(naphthalen-1-yl)ethyl 2-acetoxybenzoate, C21H18O4
- Single-crystal structure determination of Tm3B12O19(OH)7
- Crystal structure determination of NdB3.6O7
- The crystal structure of NdB6O8(OH)5·H3BO3
- Crystal structure of 2-(5-ethylpyridin-2-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H25NO3
- Crystal structure of N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)aniline, C18H23NO2
- Crystal structure of Ba6Cd12Mn4SiF48
- Synthesis and crystal structure of 5-fluoro-1-methyl-2-oxo-3-(2-oxochroman-4-yl)indolin-3-yl acetate, C20H16FNO5
- The crystal structure of 6-methacryloylbenzo[d][1,3]dioxol-5-yl 4-nitrobenzenesulfonate, C17H13NO8S
- Crystal structure of ethyl 2-(3-benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)- 2,2-difluoroacetate, C19H16F2N2O3
- The crystal structure of tetrakis(μ 2-(1H-benzimidazole-2-methoxo-κ2 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4
- Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn
- The crystal structure of 1-(4-carboxybutyl)-3-methyl-1H-imidazol-3-ium hexafluoridophosphate, C9H15F6N2O2P
- Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3
- Crystal structure of dimethyl (R)-2-(3-(1-phenylethyl)thioureido)-[1,1′-biphenyl]-4,4′-dicarboxylate, C25H24N2O4S
- The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3
- Synthesis and crystal structure of dimethyl 4,4′-(propane-1,3-diylbis(oxy))dibenzoate, C19H20O6
- Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2
- The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS
- The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C15H8F4N2O3