共查询到20条相似文献,搜索用时 31 毫秒
1.
Qingjian Liu Yizhi Li Daqing Shi Jianhua Xu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o36-o37
In the title compound, C21H15NO3, which is one of the photoreaction products of N‐methyl‐1,8‐naphthalenedicarboximide with phenylacetylene, the cyclobutene and epoxy rings are trans to each other across the cyclohexene ring of the tetralin moiety. The dihedral angle between the mean planes of the cyclobutene and cyclohexene rings is 112.80 (2)°, while the latter makes a dihedral angle of 103.70 (9)° with the epoxy ring. The crystal structure is stabilized by C—H⋯O intermolecular interactions. 相似文献
2.
Michael Benn Masood Parvez Oliver Edward Edwards 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o283-o285
The structure of the title compound, C23H35NO4, contains a unique pentacyclic ring system wherein one cyclohexyl ring adopts a chair conformation, two cyclohexyl rings are in boat conformations, and a six‐membered heterocyclic ring and a cyclopentyl ring are in envelope conformations. The structures of the lycoctamones, α,β‐unsaturated aldehydes produced by acid‐catalyzed degradation of lactams of lycoctonine‐type alkaloids, previously deduced from the results of extensive chemical investigations have been proven to be correct by the determination of the crystal structure of this compound. 相似文献
3.
Boris Shivachev Rosica Petrova Petja Marinova Neyko Stoyanov Anife Ahmedova Mariana Mitewa 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o211-o215
The crystal structures of four cycloalkanespiro‐4′‐imidazolidine‐2′,5′‐dithiones, namely cyclopentanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.4]nonane‐2,4‐dithione}, C7H10N2S2, cyclohexanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.5]decane‐2,4‐dithione}, C8H12N2S2, cycloheptanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.6]undecane‐2,4‐dithione}, C9H14N2S2, and cyclooctanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.7]dodecane‐2,4‐dithione}, C10H16N2S2, have been determined. The three‐dimensional packing in all of the structures is based on closely similar chains, in which hydantoin moieties are linked through N—H⋯S hydrogen bonding. The size of the cycloalkane moiety influences the degree of its deformation. In the cyclooctane compound, the cyclooctane ring assumes both boat–chair and boat–boat conformations. 相似文献
4.
Vladimir N. Nesterov Elena A. Viltchinskaia 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):872-873
The positions of the C=C double bonds in the title compound, C16H16N4, the subject of some dispute in the literature, have been clearly identified. The cyclohexene ring has a distorted half‐chair conformation and the cyclopentene and cyclopentane rings adopt envelope conformations. The dihedral angles between planar fragments of the cyclohexene and cyclopentene rings and of the cyclohexene and cyclopentane rings are 7.5 (1) and 86.98 (9)°, respectively. In the crystal, intermolecular N—H?N hydrogen bonds link the molecules into infinite chains running in the [10] direction. 相似文献
5.
Anwar Usman Ibrahim Abdul Razak Suchada Chantrapromma Hoong‐Kun Fun Tarun K. Sarkar Sankar Basak Gur Dayal Nigam 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1116-1117
In the title compound, C16H19ClN2O4, the pyridine ring is nearly planar, the piperidine ring is non‐planar and the cyclohexane ring adopts a screw‐boat conformation. The carboxylate group makes a dihedral angle of 80.9 (2)° with the least‐squares plane through the cyclohexane ring. 相似文献
6.
Miao Du Lin‐Hong Weng Xue‐Bing Leng Xian‐He Bu Ruo‐Hua Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1090-1091
The crystal structure of the title complex, [Cd(C20H25N2O2)Cl], reveals a hydrogen‐bonded dimer composed of neutral molecules. The CdII center is five‐coordinated by two O atoms of the pendant arms, two nitrogen donors of the 1,5‐diazacyclooctane ring and a chloride anion. The coordination geometry of the complex could be described as a distorted square pyramid. The 1,5‐diazacyclooctane backbone adopts a boat/chair configuration and the two phenol/phenolato groups have a dihedral angle of 101.3 (2)° between them. The coordinated phenolate and phenolic groups of inversion‐related molecules form strong intermolecular O—H?O hydrogen bonds. 相似文献
7.
Jakub Wojciechowski Henryk Krawczyk Marcin
liwiski Wojciech M. Wolf 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o351-o353
The title compound, C11H16O3, adopts a conformation in which the δ‐valerolactone and cyclohexane rings are almost coplanar with one another. The β‐methoxy substituent occupies an axial position with respect to the cyclohexane ring. The δ‐valerolactone moiety adopts a half‐chair arrangement, while the cyclohexane ring exists in a chair conformation. 相似文献
8.
Swastik Mondal Monika Mukherjee Arnab Roy Debabrata Mukherjee 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o132-o134
In the title tricyclic keto‐diester, C20H24O6, a potential intermediate in the synthesis of bioactive podocarpic acid, the outer cyclohexane ring (in a chair conformation) is cis fused to the central cyclohexanone ring (in a half‐chair conformation). The conformational analysis of the compound, investigated by semi‐empirical quantum mechanical AM1 calculations, shows a good agreement with the X‐ray structure, except for the orientation of the methyl, methoxyphenyl and methoxycarbonyl substituents. 相似文献
9.
Henryk Krawczyk Marcin
liwiski Wojciech M. Wolf 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):o897-o899
The title compound, C11H16O2, adopts a semifolded conformation with the δ‐lactone and cyclohexane rings almost perpendicular to one another. The β‐methyl substituent occupies an axial position with respect to the cyclohexane ring. The δ‐lactone moiety adopts a slightly distorted half‐chair arrangement, while the cyclohexane ring exists in an almost ideal chair conformation. 相似文献
10.
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
11.
Guangrong Zheng Sean Parkin Linda P. Dwoskin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o9-o11
The crystal structures of the title compounds, 2α,4α‐dibenzyl‐3α‐tropanol (2α,4α‐dibenzyl‐8‐methyl‐8‐azabicyclo[3.2.1]octan‐3α‐ol), C22H27NO, (I), and 2α,4α‐dibenzyl‐3β‐tropanol (2α,4α‐dibenzyl‐8‐methyl‐8‐azabicyclo[3.2.1]octan‐3β‐ol), C22H27NO, (II), show that both compounds have a piperidine ring in a chair conformation and a pyrrolidine ring in an envelope conformation. Isomer (I) is asymmetric, the benzyl groups having different orientations, whereas isomer (II) is mirror symmetric, and the N and O atoms, the C atom attached to the hydroxy group, and the methyl C atom attached to the N atom lie on the mirror plane. In the crystal structures of both (I) and (II), the molecules are linked together by intermolecular O—H⋯N hydrogen bonds to form chains that run parallel to the a direction in (I) and parallel to b in (II). 相似文献
12.
Smriti Khera Michael D. Carducci Jian‐Qiao Gu Barbara N. Timmermann 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o773-o775
The structure of an iridolactone isolated from Valeriana laxiflora was established as (4R,4aR,6S,7S,7aS)‐6‐hydroxy‐7‐hydroxymethyl‐4‐methylperhydrocyclopenta[c]pyran‐1‐one chloroform solvate, C10H16O4·CHCl3. The two rings are cis‐fused. The δ‐lactone ring adopts a slightly twisted half‐chair conformation with approximate planarity of the lactone group and the cyclopentane ring adopts an envelope conformation. The hydroxy group, the hydroxymethyl group and the methyl group all have β orientations. The absolute configuration was determined using anomalous dispersion data enhanced by the adventitious inclusion of a chloroform solvent molecule. Hydrogen bonding, crystal packing and ring conformations are discussed in detail. 相似文献
13.
Anthony Linden Cihat afak Frat Aydn 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o711-o713
The title compound, C20H21ClN2O5, has potential calcium modulatory properties. The 1,4‐dihydropyridine ring has the usual shallow boat conformation. The 2‐chloro‐5‐nitrophenyl ring is oriented such that the chloro substituent is in a synperiplanar orientation with respect to the 1,4‐dihydropyridine ring plane, while the nitro substituent sits over the 1,4‐dihydropyridine ring. The cyclohexenone ring has a conformation that is approximately half‐way between that of an envelope and that of a half‐chair. The molecules are linked into chains by intermolecular N—H⋯O hydrogen bonds. 相似文献
14.
Ivan Leban Lovro Seli
Toma Mesar Anton opar Tom olmajer 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o367-o369
The molecular structure of the title tricyclic compound, C17H21NO4, which is the immediate precursor of a potent synthetic inhibitor {Lek157: sodium (8S,9R)‐10‐[(E)‐ethylidene]‐4‐methoxy‐11‐oxo‐1‐azatricyclo[7.2.0.03,8]undec‐2‐ene‐2‐carboxylate} with remarkable potency, provides experimental evidence for the previously modelled relative position of the fused cyclohexyl ring and the carbonyl group of the β‐lactam ring, which takes part in the formation of the initial tetrahedral acyl–enzyme complex. In this hydrophobic molecule, the overall geometry is influenced by C—H?O intramolecular hydrogen bonds [3.046 (4) and 3.538 (6) Å, with corresponding normalized H?O distances of 2.30 and 2.46 Å], whereas the molecules are interconnected through intermolecular C—H?O hydrogen bonds [3.335 (4)–3.575 (5) Å]. 相似文献
15.
Anthony Linden Cihat afak Emrah Kismetl 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o436-o438
The title compound, C23H29N3O4, has potential calcium modulatory properties. The conformation of the 1,4‐dihydropyridine ring is unusual in that it is planar, instead of the usual shallow boat. The 3‐nitrophenyl substituent is in the synperiplanar orientation with respect to the dihydropyridine ring plane. The oxocyclohexene ring has a distorted envelope conformation, with the out‐of‐plane atom being disordered on opposite sides of the ring plane. The molecules are linked into chains by intermolecular hydrogen bonds. 相似文献
16.
Hans‐Georg Weinig Ulrich Koert Burkhard Ziemer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e218-e218
The title compound, 2,3‐dimethoxy‐2,3‐dimethyl‐5,6,7,8‐tetrahydro‐4‐oxachroman, C12H22O4, was synthesized as a model compound for substituted diequatorial fixed vicinal trans‐cyclohexanediols. 相似文献
17.
J.‐C. Wallet Elies Molins Carlos Miravitlles 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e414-e414
Crystals of a second triclinic modification of the title compound, 2‐(2,6‐dimethoxyphenyl)‐4H‐1‐benzopyran‐4‐one, C17H14O4, were grown from a hot cyclohexane solution. In the molecule, the O—C—C—C torsion angle at the junction between the benzopyran and phenyl rings is 67.6 (3)°. 相似文献
18.
Latif Kelebekli Yunus Kara Metin Balci Ertan ahin 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o432-o434
In the title compound, C16H20Cl2O8, the bicyclic system contains a central non‐planar cyclohexane ring which is fused to a cyclobutane moiety. The cyclohexane ring has a chair conformation and the whole system adopts a syn conformation. The structure provides information on the stereochemical course of the chlorination, photo‐oxidation and hydroxylation steps of the reaction. 相似文献
19.
Dmitrii S. Yufit Judith A. K. Howard Sergei I. Kozhushkov Rafael R. Kostikov Armin de Meijere 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):968-969
The central three‐membered ring in the title compound, trans‐1,1′,1′′‐cyclopropane‐1,2,3‐triyltris(cyclopropanol), C12H18O3, shows pronounced asymmetry of the bond lengths, which is induced by the different orientations of the substituents. A network of hydrogen bonds links the molecules into sheets. 相似文献
20.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o647-o649
Crystals of the title compound, C15H17NO3, were obtained from a condensation reaction of 3‐hydroxy‐4‐methoxybenzaldehyde with 1‐azabicyclo[2.2.2]octan‐3‐one and subsequent crystallization of the product from methanol. The title compound, containing a double bond that connects the azabicyclic ring system to the 3‐hydroxy‐4‐methoxybenzylidene group, was obtained with Z geometry. 相似文献