共查询到20条相似文献,搜索用时 31 毫秒
1.
Manfredo Hrner Almir Luis Brancher Angela Silva Jairo Bordinhao Ccilia M. Mssmer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o303-o304
The crystal structure of the title compound, C14H12N4O3, shows that the stereochemistry about the N=N double bond of the N=N—N(H) moiety is trans. The whole molecule is almost planar (r.m.s. deviation = 0.0654 Å), the interplanar angle between the phenyl rings being 0.7 (1)° and the largest interplanar angle being that between the phenyl ring and the nitro group of the 4‐nitrophenyl substituent [11.5 (2)°]. Intermolecular N—H⋯O interactions between molecules related by translation give rise to chains along the [110] and [10] directions, and these chains are held together by N⋯O π–π interactions. An unequal distribution of the double‐bond character among the N atoms suggests a delocalization of π electrons over the diazoamine group and the adjacent aryl substituents. 相似文献
2.
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
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.
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
5.
Cem Cüneyt Ersanl idem Albayrak Mustafa Odabaolu Carsten Thne Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o133-o135
The structure of the title compound, C18H20ClN3O5, displays the characteristic features of azobenzene derivatives. Intramolecular N—H⋯O, weak intramolecular C—H⋯O, and intermolecular O—H⋯O and C—H⋯O interactions influence the conformation of the molecules and the crystal packing. Intermolecular hydrogen bonds link the molecules into infinite chains, and the title compound adopts the keto–amine tautomeric form. The azobenzene moiety of the molecule has a trans configuration. The molecule is not planar, and the dihedral angle between the two phenyl rings is 35.6 (2)°. 相似文献
6.
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
7.
Antonio Quesada Antonio Marchal John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o102-o104
In the title compound, C14H23N6O2+·HSO4−·H2O, the pyrimidinium ring of the cation adopts a twist‐boat conformation, induced by steric clashes between adjacent ring substituents; the anions and the water molecules are linked by three O—H⃛O hydrogen bonds [H⃛O = 1.70–1.78 Å, O⃛O = 2.548 (2)–2.761 (2) Å and O—H⃛O = 161–168°] into chains of edge‐fused R(12) rings, which are linked into sheets by the cations, via three N—H⃛O hydrogen bonds [H⃛O = 1.96–2.17 Å, N⃛O = 2.820 (2)–2.935 (2) Å and N—H⃛O = 145–173°]. 相似文献
8.
Abdurrahman engül Nevzat Karaday 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o539-o541
The title compound, C27H27N5O3·H2O, is built up from pyrazolinone, phenyl and acetophenone oxime moieties. The 2‐phenyl substituent is nearly perpendicular to the pyrazolinone ring, with a dihedral angle of 87.66 (1)°. The acetophenone oxime moieties are twisted out of the pyrazolinone‐ring plane by 47.04 (1)°. The molecules in the crystal pack in an antiparallel fashion and are held together by hydrogen‐bonded water molecules and intermolecular O—H⋯O and O—H⋯N hydrogen bonds. 相似文献
9.
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
10.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o207-o209
Borohydride reduction of N‐(4‐nitrobenzylidene)‐4‐iodoaniline has yielded the title compound, 1,2‐bis[4‐(4‐iodophenylaminomethyl)phenyl]diazene 1‐oxide, C26H22I2N4O. The molecules lie across centres of inversion in P21/c, with the azoxy O atom disordered over two sites, each having an occupancy of 0.5. The molecules are linked into sheets by a combination of C—H⃛O and C—H⃛π(arene) hydrogen bonds. 相似文献
11.
Ufuk oruh Bahittin Kahveci Selami amaz Erbil AgÜar Youngme Kim Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o476-o478
The title compound, C13H13ClN4O2, contains both a phenyl and a triazole ring, both of which are approximately coplanar with the entire molecule. The triazole ring has substituents at the 1‐, 2‐ and 4‐positions. Intramolecular C—H⃛O and C—H⃛N interactions, together with intermolecular C—H⃛O and C—H⃛π interactions, help to stabilize the structure. 相似文献
12.
Antonio Quesada Manuel Melguizo John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o400-o402
The title compound, C18H17N3O2, crystallizes with Z′ = 2 in space group P21/c, and the two independent molecules are approximate, but not exact, mirror images. The molecular–electronic structure is strongly polarized, and the molecules are linked by paired N—H⃛O hydrogen bonds [H⃛O = 2.00–2.23 Å, N⃛O = 2.798 (3)–2.992 (3) Å and N—H⃛O = 145–151°] into two independent C(4)C(6)[(6)] chains of rings, which are linked into sheets by a single aromatic π–π‐stacking interaction. 相似文献
13.
Vasu K. A. Nirmala Deepak Chopra S. Mohan J. Saravanan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o786-o788
The title compounds, both C23H21ClN2OS, are isomeric, with (I) and (II) being the N‐3‐methylphenyl and N‐2‐methylphenyl derivatives, respectively. The dihedral angle between the 4‐chlorophenyl group and the thiophene ring in (II) [38.1 (1)°] is larger than that in (I) [7.1 (1)°], indicating steric repulsion between the chlorophenyl and o‐toluidine groups in (II). In both compounds, an intramolecular N—H⋯N hydrogen bond forms a pseudo‐six‐membered ring, thus locking the molecular conformation. In the crystal structures, molecules are connected via N—H⋯O hydrogen bonds, forming chains along the b axis in (I) and along the c axis in (II). Intermolecular C—H⋯O/S and π–π interactions are also observed in (II), but not in (I). 相似文献
14.
Manfredo Hrner Ivan Carlos Casagrande Herton Fenner Jrg Daniels Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m424-m426
In the title complex, [Au(C12H8N5O4)(C18H15P)], the coordination geometry about the AuI ion is linear, with one deprotonated 1,3‐bis(4‐nitrophenyl)triazenide ion, [O2NC6H4N=N–NC6H4NO2]−, acting as a monodentate ligand (two‐electron donor), and one neutral triphenylphosphine molecule completing the metal coordination. The triazenide ligand is almost planar (r.m.s. deviation = 0.0767 Å), with the largest interplanar angle being 11.6 (7)° between the phenyl ring of one of the terminal 4‐nitrophenyl substituents and the plane defined by the N=N—N triad. The Au—N and Au—P distances are 2.108 (5) and 2.2524 (13) Å, respectively. Pairs of molecules generated by centrosymmetry are associated into a supramolecular array via intermolecular C—H⋯O interactions, and N⋯C and N⋯O π–π interactions. 相似文献
15.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e586-e586
The structure of the title compound, C12H12N2O2S, (I), comprises molecules that form dimers via N—H?N hydrogen‐bonding interactions and then construct the overall network through N—H?O associations. The dihedral angle between the phenyl and thiazole rings is 42.41 (6)°. 相似文献
16.
Manfredo Hrner Vanessa S. Carratu Jairo Bordinhao Angela Silva Elke Niquet 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m140-m142
In the title compound, [Cd(C12H8F2N3)2(C5H5N)2], the Cd atom lies on a crystallographic twofold axis in space group Iba2. The coordination geometry about the CdII ion corresponds to a rhombically distorted octahedron, with two deprotonated 1,3‐bis(2‐fluorophenyl)triazenide ions, viz. FC6H4NNNC6H4F−, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) molecules complete the coordination sphere in positions cis with respect to one another. The triazenide ligand is not planar (r.m.s. deviation = 0.204 Å), the dihedral angle between the phenyl rings of the terminal 2‐fluorophenyl substituents being 24.6 (1)°. The triazenide and pyridine Cd—N distances are 2.3757 (18)/2.3800 (19) and 2.3461 (19) Å, respectively. Intermolecular C—H⋯F interactions generate sheets of molecules in the (010) plane. 相似文献
17.
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
18.
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
19.
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
20.
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