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1.
16‐[3‐Methoxy‐4‐(2‐piperidin‐1‐ylethoxy)benzylidene]‐17‐oxoandrost‐5‐en‐3β‐yl acetate monohydrate
S. Thamotharan V. Parthasarathi Ranju Gupta Sheetal Guleria D. P. Jindal Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o727-o729
The title compound, C36H49NO5·H2O, has the outer two six‐membered rings of the steroid nucleus in chair conformations. The central ring B of the steroid nucleus is in an 8β,9α‐half‐chair conformation, while ring D of the steroid adopts a slightly distorted 13β,14α‐half‐chair conformation. The piperidine ring is in a chair conformation. The methoxybenzylidene moiety has an E configuration with respect to the carbonyl group at position 17. Intermolecular O—H?O and O—H?N hydrogen bonds link the steroid and water molecules into chains which run parallel to the b axis. 相似文献
2.
R. Hema V. Parthasarathi S. Thamotharan S. Dubey D. P. Jindal 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o421-o422
In the title compound, C31H40N2O·H2O, the outer two six‐membered rings are in chair conformations, while the central ring is in an 8β,9α‐half‐chair conformation. The five‐membered ring adopts a 13β‐envelope conformation and the cyanobenzylidene moiety has an E configuration with respect to the hydroxyl group at position 17. The steroid nuclei are linked by intermolecular O—H?O and O—H?N hydrogen bonds to form a molecular network. The molecular packing has an interesting feature, with the steroids aligned parallel to the b axis, forming a closed loop through hydrogen bonds linked via water molecules. 相似文献
3.
G. Vasuki S. Thamotharan V. Parthasarathi K. Ramamurthi S. Dubey D. P. Jindal 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o598-o599
The title compound, C32H45N2O+·Br?·0.5H2O, has the outer two six‐membered rings in chair conformations, while the central ring is in an 8β,9α‐half‐chair conformation. The five‐membered ring of the steroid nucleus adopts a slightly deformed 14α‐envelope conformation. The pyridylmethylene moiety has an E configuration with respect to the hydroxyl group at position 17. The structure is stabilized by a network of O—H?Br‐type intermolecular hydrogen bonds. 相似文献
4.
Maria Gdaniec Elbieta Nowak Maria J. Milewska Tadeusz Pooski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o661-o662
The molecule of the title compound, C8H11NO2, contains a strained bicyclic system with a significantly twisted imide chromophore. The five‐membered ring fragment containing the imide function is strongly puckered and adopts a half‐chair conformation. The six‐membered ring has a slightly distorted chair conformation. The molecules are joined by strong N—H?O and weak C—H?O hydrogen bonds into infinite chains. 相似文献
5.
Raffaella Soave Riccardo Destro 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o507-o509
The asymmetric unit of the title compound, C22H31N3O4·H2O, incorporates one water molecule, which is hydrogen bonded to the 3‐oxo O atom of the indolizidinone system. The two rings of the peptidomimetic molecule are trans‐fused, with the six‐membered ring having a slightly distorted half‐chair conformation and the five‐membered ring having a perfect envelope conformation. The structure is stabilized by intermolecular O—H?O interactions between the water and adjacent peptide molecules, and by N—H?O interactions between the peptide molecules, which link the molecules into infinite chains. 相似文献
6.
K. Rajalakshmi Vasantha Pattabhi C. S. Venkatesan G. Nadamuni A. Srikrishna 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e307-e308
In the title compound, C29H42O4·H2O, cyclohexane rings A and B are in the sofa conformation, ring C is in a chair conformation and the five‐membered ring D is in an envelope conformation. The structure is stabilized by inter‐ and intramolecular C—H?O and O—H?O hydrogen bonds. 相似文献
7.
Nurten Ezer Anthony Linden F. Pnar ahin hsan al 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o253-o255
The ent‐kaurene diterpene in the title compound, 7‐epicandicandiol ethanol solvate, C20H32O2·C2H6O, was isolated from the aerial parts of Sideritis ozturkii Aytaç & Aksoy. The molecule has the usual conformation and stereochemistry found in related ent‐kaurene derivatives. The methyl‐substituted ring junction has a trans arrangement and the other junction is cis. The six‐membered rings have chair or slightly distorted chair conformations and the five‐membered ring has an envelope conformation. Intermolecular hydrogen bonds link the 7‐epicandicandiol and ethanol molecules into two‐dimensional networks, part of which comprise co‐operative O—H⋯O—H⋯O—H⋯ chains. 相似文献
8.
R. Hema V. Parthasarathi S. Thamotharan S. Dubey D. P. Jindal 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o213-o215
In the title compound, 4‐(3β‐hydroxy‐17‐oxoandrost‐5‐en‐16‐ylidenemethyl)benzonitrile, C27H31NO2, rings A and C of the steroid nucleus are in chair conformations. The central six‐membered ring B is in an 8β,9α‐half‐chair conformation, while the five‐membered ring D adopts a 13β,14α‐half‐chair conformation. The cyanobenzylidene moiety has an E configuration with respect to the carbonyl group at position C17. The dihedral angle between the planes of the steroid nucleus and the cyanobenzylidene moiety is 22.61 (15)°. Intermolecular O—H⃛N hydrogen bonds formed between the hydroxyl group of the steroid and the N atom of the cyanobenzylidene moiety of symmetry‐related molecules link the steroid molecules into chains which run parallel to the b axis. 相似文献
9.
L. C. R. Andrade J. A. Paixo M. J. M. de Almeida E. J. Tavares da Silva M. L. S e Melo F. M. Fernandes Roleira 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o82-o83
The title compound, alternatively called 24‐nor‐5β‐chol‐22‐ene‐3β,7α,12α‐triyl triformate, C26H38O6, has a cis junction between two of the six‐membered rings. All three of the six‐membered rings have chair conformations that are slightly flattened and the five‐membered ring has a 13β,14α‐half‐chair conformation. The 3β, 7α and 12α ring substituents are axial and the 17β group is equatorial. The 3β‐formyloxy group is involved in one weak intermolecular C—H⋯O bond, which links the molecules into dimers in a head‐to‐head fashion. 相似文献
10.
Silvia Russi Helena Pardo Horacio Heinzen Eduardo Dias Patrick Moyna Raúl A. Mariezcurrena Leopoldo Suescun Alvaro W. Mombrú 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):672-673
The structure of the adduct of eucarvone with nitrosobenzene, C16H19NO2, is reported. The [3.2.2] bicyclic system corresponds to two seven‐membered rings in boat and distorted chair conformations and a six‐membered ring that adopts a distorted boat conformation. No conjugation is observed between the phenyl group and the N—O system. The packing is directed mainly by a C?O hydrogen bond, C—H?O‐(1 ? x, ?y, z) and by intermolecular C—H?π interactions. 相似文献
11.
A. Subbiah Pandi S. Banumathi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun S. Manikandan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):819-820
In the title compound, C24H18ClNO2, the phenyl ring and the tetralone moiety are approximately orthogonal to the isoxazoline ring. The isoxazoline ring adopts an envelope conformation, while the cyclohexenone ring of the tetralone moiety has an intermediate sofa/half‐chair conformation. In this structure, one C—H?N intermolecular and two C—H?O intramolecular hydrogen bonds occur; the H?A distances are 2.60, and 2.35 and 2.57 Å, respectively. The molecules are held together by an intermolecular C—H?N hydrogen bond, forming a one‐dimensional chain along the [100] direction. 相似文献
12.
A. Abdul Ajees S. Parthasarathy S. Manikandan R. Raghunathan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):473-475
The title compound, C23H15Cl2NO3, crystallizes with two independent molecules in the asymmetric unit. The chromanone moiety consists of a benzene ring fused with a six‐membered heterocyclic ring which adopts a sofa conformation. The five‐membered spiroisoxazoline ring is in an envelope conformation. The p‐chlorophenyl rings bridged by the five‐membered ring are nearly perpendicular to each other. The chromanone moiety of one molecule packs into the cavity formed by the p‐chlorophenyl rings of a second molecule through the formation of C—H?π interactions. The structure is stabilized by weak C—H?O, C—H?Cl and C—H?π interactions. 相似文献
13.
Shyamaprosad Goswami Reshmi Mukherjee Kumaresh Ghosh Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):477-478
In the title cocrystal, 2‐aminopyrimidine–(+)‐camphoric acid (1/1), C4H5N3·C10H16O4, the 2‐aminopyrimidine forms two eight‐membered hydrogen‐bonded rings with two different camphoric acid molecules. This results in infinite wave‐like chains of molecules in which neighbouring chains are connected by weak C—H?O contacts. The five‐membered ring in the acid molecule adopts a half‐chair conformation. 相似文献
14.
Hoong‐Kun Fun R. Sankaranarayanan D. Velmurugan S. Shanmuga Sundara Raj G. Babu P. T. Perumal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):475-476
In the title compound, C26H22N2O2S, the tetrahydropyridine ring has a conformation intermediate between half‐chair and sofa. The tetrahydroquinoline mean plane makes a dihedral angle of 73.3 (1)° with the cyclopentene ring, which adopts an envelope conformation, and an angle of 45.45 (4)° with the indole best plane. The dihedral angle between the benzene and pyrrole rings is 2.6 (1)°. The orientations of the phenyl ring on the sulfonyl group and of the indole are governed by weak C—H?O interactions. The packing of the molecule in the solid state is stabilized by C—H?O and C—H?N hydrogen bonds. 相似文献
15.
G. Vasuki V. Parthasarathi K. Ramamurthi D. P. Jindal S. Dubey 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o162-o163
The title compound, C27H29NO2, has the outer six‐membered ring in a sofa conformation, while the central rings are in chair conformations. The five‐membered ring adopts a slightly distorted 13β,14α‐half‐chair conformation. The cyanobenzylidene moiety has an E configuration with respect to the carbonyl group at position 17. 相似文献
16.
S. Thamotharan V. Parthasarathi S. Dubey D. P. Jindal Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o110-o112
In the title compound, C29H36O2, the outer cyclohexene ring of the steroid nucleus has a conformation that lies about half‐way between a half‐chair and an envelope, while the central and outer cyclohexane rings of the steroid nucleus have slightly distorted chair conformations. The steroidal cyclopentane ring adopts a 13β,14α‐half‐chair conformation. The benzylidene moiety has an E configuration with respect to the carbonyl group on the cyclopentane ring. The dihedral angle between the mean planes of the steroid nucleus and the benzylidene moiety is 35.54 (9)°. The packing of the molecules is assumed to be dictated mainly by weak intermolecular C—H⋯O interactions. 相似文献
17.
J. Zukerman‐Schpector Mauricio Vega I. Caracelli Luiz C. Dias Anna M. A. P. Fernandes 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1089-1091
In 6‐methyl‐N‐(4‐nitrobenzoyl)‐5,6‐dihydropyridin‐2(1H)‐one, C13H12N2O4, (I), the piperidone ring is in a distorted half‐chair conformation. In 8‐methoxy‐3‐methyl‐N‐(4‐nitrobenzoyl)‐1,2,3,4,5,6,7,8‐octahydroisoquinoline‐1,6‐dione, C18H20N2O6, (II), the heterocyclic ring is in a slightly distorted half‐boat conformation, while the other six‐membered ring is in a distorted chair conformation. Compound (II) presents a strong intramolecular C—H?O hydrogen bond. In both (I) and (II), the molecules interact through C—H?O interactions. 相似文献
18.
Katarzyna
lepokura Tadeusz Lis 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o315-o317
In the title compound, C11H15O6P, the six‐membered dioxaphosphorinane ring of the cyclic phosphate triester exists in a distorted chair conformation, with the phenoxy group in an axial position. The phenyl ring and both methoxy groups are in a trans–gauche orientation with respect to the 1,3,2‐dioxaphosphorinane ring. In the phosphate group, a significant deformation from the ideal tetrahedral shape is observed. The crystal structure is stabilized by a three‐dimensional network of C—H⋯O interactions. 相似文献
19.
Bin Li Hai‐Bin Song Chi‐Tung Hsu Ke‐Liang Zhang Chao Wu Hua‐Zheng Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o114-o117
The molecular structures of 2‐[4‐chloro‐2‐fluoro‐5‐(prop‐2‐ynyloxy)phenyl]‐1,3,4,5,6,7‐hexahydroisoindole‐1,3‐dione, C17H13ClFNO3, (I), and the isomeric compound 2‐[4‐chloro‐2‐fluoro‐5‐(prop‐2‐ynyloxy)phenyl]‐cis‐1,3,3a,4,7,7a‐hexahydroisoindole‐1,3‐dione, (II), are, as anticipated, significantly different in their conformations and in the distances between the farthest two atoms. The six‐membered ring of the 1,3,4,5,6,7‐hexahydroisoindole‐1,3‐dione moiety in (I) adopts a half‐chair conformation. The dihedral angle between the five‐membered dione ring of (I) and the benzene ring is 50.96 (7)°. The six‐membered ring of the cis‐1,3,3a,4,7,7a‐hexahydroisoindole‐1,3‐dione moiety in (II) adopts a boat conformation. The dihedral angle in (II) between the five‐membered dione ring and the benzene ring is 61.03 (13)°. In the crystal structures, the molecules are linked by C—H⋯O hydrogen bonds and weak π–π interactions. Compound (I) is a much more potent herbicide than (II). The Cl⋯H distances between the farthest two atoms in (I) and (II) are 11.37 and 9.97 Å, respectively. 相似文献
20.
Esther García G. Virgilio Mendoza G. Jos Agustín Guzmn‐B. Luis Angel Maldonado Graniel Simn Hernndez‐Ortega 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o336-o338
In the molecule of the title compound, C13H18O3, there is a syn relationship between the two vicinal methyl groups. The six‐membered ring adopts a chair conformation, with one equatorial and two axial groups, and the furyl group is almost parallel to the ketone group. Intermolecular hydrogen bonds [O—H?O=C 2.814 (3) Å] form chains along [100]. 相似文献