共查询到20条相似文献,搜索用时 125 毫秒
1.
Marijana Juki Mario Cetina Jasna Vorkapi‐Fura
Amalija Golobi
Ante Nagl 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o357-o359
Crystal structure analysis of the title compound, C13H12ClNO, reveals three crystallographically independent molecules in the asymmetric unit. The main conformational difference between these molecules is the orientation of the phenyl rings with respect to the pyrrole rings. The coplanar arrangement of the aldehyde groups attached to the pyrrole rings influences the pyrrole‐ring geometry. The C2—C3 and N1—C5 bonds are noticeably longer than the C4—C5 and N1—C2 bonds. Two independent molecules of the title compound form dimers via intermolecular C—H⃛O hydrogen bonds [D⃛A = 3.400 (3) Å and D—H⃛A = 157°]. The perpendicular orientation of the phenyl and pyrrole rings of one independent molecule and its symmetry‐related molecule allows C—H⃛π interactions, with an H⃛centroid distance of 2.85 Å and a C—H⃛π angle of 155°. The distances between the H atom and the pyrrole‐ring atoms indicate that the C—H bond points towards one of the bonds in the pyrrole ring. 相似文献
2.
A. Subbiah Pandi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun M. C. Bansal 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o302-o304
The title compound, C19H20O6, crystallizes in the centrosymmetric space group P21/c with one molecule in the asymmetric unit. The molecule is approximately planar and the dihedral angle between the phenyl rings is 11.0 (1)°. The H atoms of the central propenone group are trans. There is an intramolecular O—H⃛O hydrogen bond and the molecules are crosslinked by four intermolecular C—H⃛O hydrogen bonds, producing a three‐dimensional network. 相似文献
3.
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
4.
S. Thamotharan V. Parthasarathi Subodh Kumar Vijay Kumar Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o335-o337
The central ring of the anthrone system in the title compound, C17H14O4, has a shallow envelope conformation, and each of the two outer rings is inclined at an angle of 17.41 (3)°. In the solid state, the molecules exist as centrosymmetrically related O—H⃛O hydrogen‐bonded dimers. Two intramolecular O—H⃛O hydrogen bonds, involving the central carbonyl O atom and having a graph‐set motif of S(6), are observed. These intramolecular interactions lead co‐operatively to an O—H⃛O⃛H—O pattern that has a binary graph‐set motif of (10). 相似文献
5.
Mario Cetina Senka ?akovi Vladimir Rapi Amalija Golobi
《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m328-m330
In the title compound, [Fe(C5H5)(C14H13O)], the plane of the heterocyclic ring is almost perpendicular to the plane of the substituted cyclopentadienyl ring, and the heterocyclic ring adopts a half‐chair conformation. The conformation of the nearly parallel cyclopentadienyl (Cp) rings [the dihedral angle between their planes is 2.7 (1)°] is almost halfway between eclipsed and staggered, and the rings are mutually twisted by about 19.4 (2)° (mean value). The mean lengths of the C—C bonds in the substituted and unsubstituted cyclopentadienyl ring are 1.420 (2) and 1.406 (3) Å, respectively, and the Fe—C distances range from 2.029 (2) to 2.051 (2) Å. The phenyl and unsubstituted cyclopentadienyl rings are involved in C—H⃛π interactions, with intermolecular H⃛centroid distances of 2.85 and 3.14 Å for C—H⃛π(Ph), and 2.88 Å for C—H⃛π(Cp). In two of these interactions, the C—H bond points towards one of the ring bonds rather than towards the ring centroid. In the crystal structure, the C—H⃛π interactions connect the molecules into a three‐dimensional framework. 相似文献
6.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
7.
John F. Gallagher Richard D. A. Hudson A. R. Manning 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(1):28-30
The title compound, [Fe(C5H5)(C10H7O2S)], an important precursor en route to organometallic donor–π–acceptor systems, forms dimers in the solid state through cyclic intermolecular carboxylic acid O—H⃛O hydrogen bonds, graph set R(8) [O⃛O 2.661 (2) Å and O—H⃛O 175°]. Intermolecular CCp—H⃛πCp interactions between the unsubstituted cyclopentadienyl (Cp) rings and Cthiazole—H⃛πCp interactions link neighbouring molecules into a three-dimensional network [C⃛Cg 3.753 (7) Å and C—H⃛Cg 156°, and C⃛Cg 3.687 (3) Å and C—H⃛Cg 129°; Cg is the ring centroid]. Intramolecular C—H⃛O interactions are present, graph set S(7) [C⃛O 2.925 (3) Å and C—H⃛O 120°, and the closest C—H⃛Sthienyl contact has a C⃛S distance of 3.058 (2) Å]. 相似文献
8.
Orhan Büyükgüngr Mustafa OdabasÛoglu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o105-o106
Two cyclic eight‐membered hydrogen‐bonded rings exist in the title compound, 2C5H7N2+·C4H2O42−, involving the 2‐aminopyridinium and maleate ions. The dihedral angle between the two pyridinium rings hydrogen bonded to the maleate ion is 74.80 (4)°. The maleate anion lies on a twofold axis and is linked to the pyridinium cations by intermolecular N—H⃛O hydrogen bonds. The heterocycle is fully protonated, which enables amino–imino tautomerization. 相似文献
9.
Zun‐Ting Zhang Qian‐Guang Liu Xiao‐Bing Wang Jian‐Bin Zheng Kai‐Bai Yu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o29-o31
The title compound, 5‐hydroxy‐4′,7‐dimethoxyisoflavone, C17H14O5, is composed of a benzopyranone moiety, a phenyl moiety and two methoxy groups. The benzopyranone ring is not coplanar with the phenyl ring, the dihedral angle between them being 56.28 (3)°. The two methoxy groups are nearly coplanar with their corresponding rings, having C—C—O—C torsion angles of 2.9 (2) and 5.9 (2)°. The molecules are linked by C—H·O hydrogen bonds into sheets containing classical centrosymmetric (8) rings. The sheets are further linked by aromatic π–π stacking interactions and C—H·O hydrogen bonds into a supramolecular structure. 相似文献
10.
S. Thinagar D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun S. C. Gupta H. Merazig S. Bouacida 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o181-o183
The title compound 3,3′‐[o‐phenylenebis(methyleneoxy)]bis(6‐chloroflavone), C38H24Cl2O6, (I), crystallizes in the monoclinic space group C2/c, with the molecules lying across twofold rotation axes so that there is half a molecule in the asymmetric unit, while the other title compound, 3,3′‐propylenedioxybis[6‐chloro‐2‐(2‐furyl)‐4H‐1‐benzopyran‐4‐one], C29H18Cl2O8, (II), crystallizes in monoclinic space group P21/n with one molecule in the asymmetric unit. In both compounds, the benzopyran moiety is nearly planar, with dihedral angles between the two fused rings of 1.43 (8)° in (I), and 2.54 (7) and 3.00 (6)° with respect to the benzopyran moieties in the two halves of (II). The furan rings are twisted by 8.3 (1) and 8.4 (1)° in the two halves of (II). In both compounds, the molecular structure is stabilized by intramolecular C—H⃛O hydrogen bonds, while the crystal packing is stabilized by C—H⃛Cl and C—H⃛O intermolecular hydrogen bonds in (I) and (II), respectively. 相似文献
11.
9,10‐Diphenyl‐9,10‐epidioxyanthracene and 9,10‐dihydro‐10,10‐dimethoxy‐9‐phenylanthracen‐9‐ol
Anwar Usman Hoong‐Kun Fun Yun Li Jian‐Hua Xu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o308-o310
9,10‐Diphenyl‐9,10‐epidioxyanthracene, C26H18O2, (I), was accidentally used in a photooxygenation reaction that produced 9,10‐dihydro‐10,10‐dimethoxy‐9‐phenylanthracen‐9‐ol, C22H20O3, (II). In both compounds, the phenyl rings are approximately orthogonal to the anthracene moiety. The conformation of the anthracene moiety differs as a result of substitution. Intramolecular C—H⃛O interactions in (I) form two approximately planar S(5) rings in each of the two crystallographically independent molecules. The packing of (I) and (II) consists of molecular dimers stabilized by C—H⃛O interactions and of molecular chains stabilized by O—H⃛O interactions, respectively. 相似文献
12.
Jaromír Marek Dagmar Vesel Margita Likov Milan
emli
ka 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o127-o128
The crystal structure of pomiferin, 3‐(3,4‐dihydroxyphenyl)‐5‐hydroxy‐8,8‐dimethyl‐6‐(3‐methylbut‐2‐enyl)‐4H,8H‐pyrano[2,3‐h]chromen‐4‐one, C25H24O6, has been determined. The benzopyranone ring system is nearly planar and the dihedral angle between the phenyl ring and the benzopyranone moiety is 40.85 (4)°. The crystal structure is stabilized by a one‐dimensional chain of inter‐ and intramolecular O—H⃛O hydrogen bonds, with O⃛O distances in the range 2.5546 (15)–2.7999 (16) Å. 相似文献
13.
B. Sivakumar K. SethuSankar U. P. Senthil Kumar R. Jeyaraman D. Velmurugan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o153-o155
The title compound, C24H19N3O, crystallizes in the centrosymmetric space group P21/a with one molecule in the asymmetric unit. The tetrahydropyridine ring has a boat conformation. The dihedral angle between the fused pyridine rings is 16.2 (1)°. The equatorial and axial orientations of the two phenyl groups with respect to the tetrahydropyridine ring are confirmed. The nitroso group is coplanar with the attached C—N—C group. The interplanar angle formed between the fused tetrahydropyridine and benzene planes is 13.4 (1)°. The crystal packing is stabilized by an intermolecular C—H⃛O hydrogen bond, which forms a C(9) graph‐set chain running along the [001] direction. 相似文献
14.
Angela I. Caldern Christian Terreaux Mahabir P. Gupta Kurt Hostettmann Kurt J. Schenk 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o174-o176
(2R)‐α‐(β‐d ‐Glucopyranosyloxy)‐4‐hydroxybenzeneacetonitrile (taxiphyllin) dihydrate, C14H17NO7·2H2O, is a naturally occurring cyanogenetic glycoside which has been isolated from Henriettella fascicularis (Sw.) C. Wright (Melastomataceae). Its structure is stabilized by a wealth of intermolecular O—H⃛O and O—H⃛N hydrogen bonds spun into a three‐dimensional network. Further stabilization arises from an intramolecular O—H⃛O bond and weak intermolecular C—H⃛O interactions. The very anisotropic growth speeds of the basal pinacoids from methanol mirror a certain structural inhomogeneity. 相似文献
15.
Markos M. Papadakis Jorge A. Pavon Roger A. Lalancette Hugh W. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o167-o170
The two δ‐keto carboxylic acids of the title, both C10H14O3, are epimeric at the site of carboxyl attachment. The endo (3α) epimer, (I), has its keto‐acid ring in a boat conformation, with the tilt of the carboxyl group creating conformational chirality. The molecules form hydrogen bonds by centrosymmetric pairing of carboxyl groups across the corners of the chosen cell [O⃛O = 2.671 (2) Å and O—H⃛O = 179 (2)°]. Two close intermolecular C—H⃛O contacts exist for the ketone. The exo (3β) epimer exists in the closed ring–chain tautomeric form as the lactol, 8‐hydroxy‐9‐oxatricyclo[5.3.1.03,8]undecan‐10‐one, (II). The molecules have conformational chirality, and the hydrogen‐bonding scheme involves intermolecular hydroxyl‐to‐carbonyl chains of molecules screw‐related in b [O⃛O = 2.741 (2) Å and O—H⃛O = 177 (2)°]. 相似文献
16.
Jesus Bueno Manuel Melguizo M. Luisa Quijano John Nicolson Low 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o363-o366
The supramolecular structures of the isomeric compounds 5,7‐dimethoxyimidazo[1,2‐c]pyrimidine, C8H9N3O2, (I), and 7‐methoxy‐1‐methylimidazo[1,2‐a]pyrimidin‐5(1H)‐one, C8H9N3O2, (II), are determined by weak C—H⃛N and C—H⃛O hydrogen bonds in (I), which generate alternating linked centrosymmetric R(8) and R(10) rings that form a ribbon running parallel to the c axis, and by C—H⃛O bonds in (II), which link the molecules into sheets comprising centrosymmetric R(10) and R(22) rings. 相似文献
17.
Tuncay TuncÛ Musa Sar Rahmi Yagbasan Habibe Tezcan Ertan SÛahin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o192-o193
Molecules of the title compound (alternative name p‐methoxybenzaldehyde 2‐pyridylhydrazone), C13H13N3O, adopt an E configuration about the azomethine C=N double bond. Molecules are almost planar, the dihedral angle between the pyridine and methoxyphenyl rings being only 6.19 (12)°. Pairwise N—H⃛N hydrogen bonds [R(8) in graph‐set notation] link centrosymmetrically related molecules into discrete pairs. 相似文献
18.
Manfredo Hrner Leandro Bresolin Jairo Bordinhao Edmund Hartmann Joachim Strhle 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o426-o427
The structure of the title compound, C12H9N5O4, reveals an almost planar molecule (r.m.s. deviation = 0.061 Å), in which the interplanar angle between the phenyl rings is 5.7 (1)° and the largest interplanar angle is that between the phenyl ring and the nitro group of one of the 4‐nitrophenyl substituents [8.8 (3)°]. The observed molecular conformation suggests a delocalization of π‐electrons extended over the diazoamine group and the terminal aryl substituents. Intermolecular N—H⃛O interactions between the twofold screw‐related molecules give rise to helical chains along the [010] direction. Intermolecular C—H⃛O interactions then generate sheets of molecules in the (10) plane, and these sheets are held together by N⃛C and O⃛O π–π interactions. 相似文献
19.
Yalc˛ın Elerman Hülya Kara Keith Prout Andrew Johnston 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(10):1222-1224
The title compound, C9H19N3O·C4H7NO2, displays strong intramolecular O—H⃛N [O⃛N 2.6743 (13) Å] and N—H⃛N [N⃛N 2.6791 (15) Å] hydrogen bonds, and strong intermolecular O—H⃛N [O⃛N 2.7949 (15) Å] and N—H⃛O [N⃛O 3.0924 (16) Å] hydrogen bonds. This creates chains of perhydropyrimidine molecules, linked by hydrogen bonds. Each chain is linked to a partner chain, through hydrogen bonds to two butane-2,3-dione monooxime molecules, in a structure reminiscent of a ladder. 相似文献
20.
Kamlakar Avasthi Deepa Bhagat Chandralata Bal Ashoke Sharon Umesh Yadav Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o409-o412
The crystal structure of 4,6‐bis(methylsulfanyl)‐1‐phthalimidopropyl‐1H‐pyrazolo[3,4‐d]pyrimidine, C18H17N5O2S2, (VI), reveals an unusual folded conformation due to an apparent intramolecular C—H⃛π interaction between the 6‐methylsulfanyl and phenyl groups. However, the closely related compound 6‐methylsulfanyl‐1‐phthalimidopropyl‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C21H22N6O2S, (VII), exhibits a fully extended structure, devoid of any intramolecular C—H⃛π or π–π interactions. The crystal packing of both molecules involves intermolecular stacking interactions due to aromatic π–π interactions. In addition, (VI) exhibits intermolecular C—H⃛O hydrogen bonding and (VII) exhibits dimerization of the molecules through intermolecular C—H⃛N hydrogen bonding. 相似文献