共查询到20条相似文献,搜索用时 31 毫秒
1.
G. Vasuki V. Parthasarathi K. Ramamurthi D. P. Jindal S. Dubey 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1062-1063
The title compound, C25H31NO2·H2O, 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 adopts a 13,14‐half‐chair conformation. The pyridylmethylene moiety has an E configuration with respect to the carbonyl group at position 17. The structure is stabilized by intermolecular O—H?N and O—H?O hydrogen bonds. 相似文献
2.
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
3.
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
4.
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
5.
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
6.
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
7.
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
8.
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
9.
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
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.
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
12.
T. Ravishankar K. Chinnakali N. Arumugam P. C. Srinivasan Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o137-o140
In the title compound, C24H20Br2N2O4S, the indole ring system is planar and the S atom has a distorted tetrahedral configuration. The sulfonyl‐bound phenyl ring is orthogonal to the indole ring system and the conformation of the phenylsulfonyl substituent with respect to the indole moiety is influenced by intramolecular C—H⃛O hydrogen bonds involving the two sulfonyl O atoms. The mean plane through the acetylamido group makes a dihedral angle of 57.0 (1)° with the phenyl ring of the benzyl moiety. In the crystal, glide‐related molecules are linked together by N—H⃛O hydrogen bonds and C—H⃛π interactions to form molecular chains, which extend through the crystal. Inversion‐related chains are interlinked by C—H⃛π interactions to form molecular layers parallel to the bc plane. These layers are interconnected through π–π interactions involving the five‐ and six‐membered rings of the indole moiety. 相似文献
13.
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
14.
Daniel Fernndez Daniel Vega Javier A. Ellena 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o187-o189
The title compound, C22H28O5, is a commercial therapeutic agent of the steroid class. Both independent molecules in the asymmetric unit have six‐membered A rings that are planar, while the B and C rings adopt normal chair conformations. The five‐membered D ring is in a 13β,14α‐half‐chair conformation, and the B/C and C/D ring junctions are in trans positions. Cohesion in the crystal is provided by O—H⃛O hydrogen bonds, which generate chains of molecules that are organized in a plane that lies along the crystallographic b axis. 相似文献
15.
Simn Hernndez‐Ortega Federico Jimnez‐Cruz Hctor Ríos‐Olivares Manuel Rubio‐Arroyo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):425-427
The title compound, ethyl 2‐hydroxy‐4‐oxo‐2‐phenylcyclohexanecarboxylate, C15H18O4, was obtained by a Michael–Aldol condensation and has the cyclohexanone in a chair conformation. The attached hydroxy, ethoxycarbonyl and phenyl groups are disposed in β‐axial, β‐equatorial and α‐equatorial configurations, respectively. An intermolecular hydrogen bond, with an O?O distance of 2.874 (2) Å, links the OH group and the ring carbonyl. Weak intermolecular C—H?O=C (ester and ketone), O—H?O=C (ketone) and C—H?OH hydrogen bonds exist. 相似文献
16.
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
17.
Si‐Jia Xue Qing‐Dong Wang Jing‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o666-o668
In the title compound, C15H15N5O3S, two parallel intermolecular N—H⋯S hydrogen bonds, forming an eight‐membered ring, link two molecules into a dimer unit; these dimer units linked into a chain of edge‐fused rings by weak C—H⋯O hydrogen bonds. 相似文献
18.
John N. Low Justo Cobo Silvia Cruz Jairo Quiroga Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o191-o193
Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O—H⋯O and N—H⋯O types. The molecules are linked into C(6) chains by an intermolecular N—H⋯O hydrogen bond, and pairs of these hydrogen‐bonded chains are linked by a π–π stacking interaction. 相似文献
19.
Daniel Vega Daniel Fernndez Javier A. Ellena 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1092-1094
The title compound, raloxifene hydrochloride, C28H28NO4S+·Cl?, belongs to the benzothiophene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo[b]thiophene system. The benzo[b]thiophene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations. 相似文献
20.
Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun Zhen‐Feng Chen Jing Zhang Ren‐Geng Xiong Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e341-e342
In the title compound, C18H16N2O4, the piperidine ring adopts a chair conformation, lying on an inversion centre. The 4‐hydroxybenzyl groups are in quasi‐axial positions. A two‐dimensional network is formed through N—H?O and O—H?O intermolecular hydrogen bonds and C—H?O interactions. 相似文献