共查询到20条相似文献,搜索用时 31 毫秒
1.
Viktor Kettmann Jan Svtlík 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o419-o421
The reaction between 4‐(4‐methylphenyl)but‐3‐en‐2‐one and aminoguanidine produced an unexpected product of formula C12H15N3O, consisting of a carboxamide moiety joined to a substituted pyrazoline ring at one of the N atoms. The pyrazoline ring adopts a flat‐envelope conformation and the substituted phenyl ring is oriented almost perpendicular to the heterocycle. The carbonyl O atom has partial anionic character as a result of the transfer of π density from the two adjacent sp2 N atoms and is involved in an intermolecular hydrogen bond with the amide group. 相似文献
2.
Yavuz Kysal amil Ik Gülay ahin Erhan Palaska 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o542-o544
The structures of N‐ethyl‐3‐(4‐fluorophenyl)‐5‐(4‐methoxyphenyl)‐2‐pyrazoline‐1‐thiocarboxamide, C19H20FN3OS, (I), and 3‐(4‐fluorophenyl)‐N‐methyl‐5‐(4‐methylphenyl)‐2‐pyrazoline‐1‐thiocarboxamide, C18H18FN3S, (II), have similar geometric parameters. The methoxy/methyl‐substituted phenyl groups are almost perpendicular to the pyrazoline (pyraz) ring [interplanar angles of 89.29 (8) and 80.39 (10)° for (I) and (II), respectively], which is coplanar with the fluorophenyl ring [interplanar angles of 5.72 (9) and 10.48 (10)°]. The pyrazoline ring approximates an envelope conformation in both structures, with the two‐coordinate N atom involved in an intramolecular N—H⋯Npyraz interaction. In (I), N—H⋯O and C—H⋯S intermolecular hydrogen bonds are the primary interactions, whereas in (II), there are no intermolecular hydrogen bonds. 相似文献
3.
Viktor Kettmann Jan Svtlík 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o423-o424
The X‐ray structure analysis of the unexpected product of the reaction between 4‐(4‐methylphenyl)but‐3‐en‐2‐one and aminoguanidine revealed the title compound, C12H17N4+·C2H3O2?·0.5C3H6O, consisting of a protonated amidine moiety joined to a substituted pyrazoline ring at the N1 atom. The amidine group is protonated and the positive charge is delocalized over the three C—N bonds in a similar manner to that found in guanidinium salts. The amidinium moiety of the cation is linked to the acetate anions through four N—H?O hydrogen bonds, with N?O distances of 2.749 (4), 2.848 (4), 2.904 (4) and 2.911 (4) Å. The pyrazoline ring adopts a flattened envelope conformation and the substituted phenyl ring is oriented perpendicular to the attached heterocycle. The acetone solvate molecule lies across a twofold rotation axis. 相似文献
4.
Rosa A. Vzquez García Sylvain Berns Ren Gutirrez Prez Marcos Martínez García 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o619-o620
In 2‐methyl‐1,4,5‐triphenyl‐1H‐imidazole, C22H18N2, the three substituent phenyl groups are not delocalized with the imidazole moiety; the dihedral angles these phenyl groups form with the imidazole ring are in the range 25.90 (5)–63.49 (6)°. 相似文献
5.
Viktor Kettmann Jan Lokaj Christoph Kratky Viktor Milata Pavol Hodul 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1007-1008
In the title compound, C14H15N3O4·H2O, there is a strong conjugation push–pull effect across the central double bond, as reflected in the molecular dimensions and the planarity of the enaminone portion of the molecule. The molecule has an intramolecular hydrogen bond between the NH and CO groups in the Z configuration, adopting the chelated form. The two π systems of the molecule (1‐methylbenzimidazole and enaminone) are deconjugated and tilted with respect to each other by 15.6 (2)°. The solvent water molecule is hydrogen bonded to the N1 atom of the 1‐methylbenzimidazolyl group. 相似文献
6.
Viktor Kettmann Jan Lokaj Viktor Milata Jozef Salo Mohamed Mahmoud Mohamed Hasan 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o365-o366
The title compound, C11H10N3+·Cl?·H2O, belongs to the N1‐methyl‐substituted imidazo[4,5‐f]quinoline family, in which the heterocyclic ring is protonated at the pyridine rather than at the imidazole N atom. The molecule as a whole is almost exactly planar. The molecular structure has been compared with that of the 2‐amino analogue described in the literature, and it was found that the extra amino group of the latter is involved in conjugation with the adjacent double bond, i.e. the conjugation does not extend over the entire heterocyclic system. The cation of the title compound forms a strong hydrogen bond with the Cl? anion and the anions are interconnected by the water solvent molecule. 相似文献
7.
Francesco Nicol Giuseppe Bruno Rosario Scopelliti Silvana Grasso Angela Rao Maria Zappal 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):572-574
The title molecules, C15H9ClF2N2S and C16H12F2N2S, respectively, display the well known butterfly‐like conformation with a flat thiazolobenzimidazole system. In both compounds, the mean plane through the tricyclic system is almost perpendicular to the 2,6‐difluorophenyl ring. This arrangement of the aryl group is determined by two intramolecular hydrogen bonds and by an attractive F?S interaction. 相似文献
8.
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
9.
Natalya Fridman Moshe Kapon Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o47-o49
5‐Methylsulfanyl‐1H‐tetrazole, C2H4N4S, crystallizes in dimorphic forms; the α‐form crystallizes at room temperature in the monoclinic crystal system, space group P21/m, and the β‐form crystallizes by sublimation at 423 K in the orthorhombic crystal system, space group Pbcm. In both forms, the molecules occupy crystallographic mirror planes and are connected to one another via N—H⋯N hydrogen bonds, the amino H atoms being disordered. The two forms differ from one another in their packing; there are polar layers in the α‐form and non‐polar layers in the β‐form. 相似文献
10.
Chengbing Ma Feng Chen Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m516-m518
In the title compound, [Mn(C5H3N2O4)2(H2O)2], the MnII atom lies on an inversion centre, is trans‐coordinated by two N,O‐bidentate 1H‐imidazole‐4,5‐dicarboxylate monoanionic ligands [Mn—O = 2.202 (3) Å and Mn—N = 2.201 (4) Å] and two water molecules [Mn—O = 2.197 (4) Å], and exhibits a distorted octahedral geometry, with adjacent cis angles of 76.45 (13), 86.09 (13) and 89.20 (13)°. The complete solid‐state structure can be described as a three‐dimensional supramolecular framework, stabilized by extensive hydrogen‐bonding interactions involving the coordinated water molecules, the carboxy O atoms and the protonated imidazole N atoms of the imidazole‐4,5‐dicarboxylate ligands. 相似文献
11.
Kazuhiko Matsumoto Tetsuya Tsuda Toshiyuki Nohira Rika Hagiwara Yasuhiko Ito Osamu Tamada 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m186-m187
In the title complex, (C6H11N2)3[LaCl6], centrosymmetric octahedral hexachlorolanthanate anions are located at the corners and face‐centers of the monoclinic unit cell. The ring H atoms of the cations interact with the Cl atoms of the anions via hydrogen bonding, and bifurcation of the hydrogen bonding is observed. Cation–cation interactions via hydrogen bonding between the ring H atoms and π‐electrons of aromatic rings are also observed as in other imidazolium salts. 相似文献
12.
Karl Hensen Bjrn Spangenberg Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1245-1246
The product of the addition reaction of 1,1,1,4,4,4‐hexachloro‐1,4‐disilabutane with N‐methylimidazole is μ‐ethylene‐C1:C2‐bis[dichlorotris(1‐methylimidazole‐N3)silicon(IV)] dichloride, C26H40Cl4N12Si22+·2Cl?. Two of the six Cl atoms are replaced by aromatic nitrogen bases and the coordination sphere of silicon is extended from four to six. The molecule is located on a crystallographic centre of inversion. The environment around the Si atom can be described as a slightly distorted octahedron with the Cl atoms occupying axial positions and the three N‐methylimidazole ligands and the ethylene bridge in the equatorial plane. 相似文献
13.
Miroslav Bo
a Duan Valigura Ingrid Svoboda Hartmut Fuess Wolfgang Linert 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):838-839
The title compound, C19H14N5+·ClO4?·H2O, contains planar C19H14N5+ cations, perchlorate anions and water molecules. The two closest parallel cations (plane‐to‐plane distance of 3.41 Å), together with two neighbouring perchlorate anions and two water molecules, form an electrically neutral quasi‐dimeric unit. Two acidic H atoms of the cation, both H atoms of the water molecule, the N atoms of the imidazole rings and three of the four O atoms of the perchlorate anion are involved in the hydrogen‐bonding network within the dimeric unit. The remaining third acidic H atom of the imidazole rings and the water molecules complete a two‐dimensional network of hydrogen bonds, thus forming puckered layers of dimers. The angle between the planes of two neighbouring dimeric units in the same layer is 33.25 (3)°. 相似文献
14.
Yun‐Bo Jiang Hui‐Zhong Kou Fei Gao Ru‐Ji Wang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m261-m262
Using 2‐aminomethyl‐1H‐benzimidazole as the ligand, a new thiocyanate‐bridged copper(II) complex, namely bis(2‐aminomethyl‐1H‐benzimidazole‐κ2N2,N3)dithiocyanatocopper(II),[Cu(NCS)2(C8H9N3)], has been synthesized and structurally characterized. The Cu atom is five‐coordinated and exhibits a distorted square‐pyramidal geometry. The thiocyanate ions (NCS−) act as either bridging or terminal ligands. The bridging NCS− ligands connect neighboring Cu atoms, constructing chains, while the terminal NCS− ligands form hydrogen bonds with amine H atoms, leading to a complicated network. 相似文献
15.
Fen Sun Yan‐Tuan Li Zhi‐Yong Wu Yu‐Lan Song Man Jiang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m584-m586
The structure of the title compound, [Cu2(C12H24N4O2)(C3H4N2)2(CH4O)2](ClO4)2 or [Cu2(dmoxpn)(HIm)2(CH3OH)2](ClO4)2, where dmoxpn is the dianion of N,N′‐bis[3‐(dimethylamino)propyl]oxamide and HIm is imidazole, consists of a centrosymmetric trans‐oxamidate‐bridged copper(II) binuclear cation, having an inversion centre at the mid‐point of the central C—C bond, and two perchlorate anions. The CuII atom has square‐pyramidal coordination geometry involving two N atoms and an O atom from the dmoxpn ligand, an N atom from an imidazole ring, and an O atom from a methanol molecule. The crystal structure is stabilized by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds and imidazole π–π stacking interactions to form a three‐dimensional supramolecular array. 相似文献
16.
17.
Sankar Prasad Dey Dilip Kumar Dey Asok Kumar Mallik Lutz Dahlenburg 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o321-o322
The title compound, 2‐hydroxyphenyl 5‐(pyrrol‐2‐yl)‐3H‐pyrrolizin‐6‐yl ketone, C18H14N2O2, was isolated from the base‐catalyzed 1:2 condensation of 2‐hydroxyacetophenone with pyrrole‐2‐carbaldehyde. The pyrrole N—H and hydroxybenzoyl O—H groups are hydrogen bonded to the benzoyl O atom. The allylic C=C double bond of the 3H‐pyrrolizine system is located between ring positions 1 and 2, the C atom at position 3 (adjacent to the N atom) being single bonded. 相似文献
18.
Ramaiyer Venkatraman Paresh Chandra Ray Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o633-o635
Hexamethylenetetramine and rac‐trans‐1,2‐cyclohexanedicarboxylic acid crystallize in a 1:1 ratio as a neutral molecular adduct, C6H12N4·C8H12O4. Two dicarboxylic acid molecules and two tetramine molecules form a hydrogen‐bonded ring, in the shape of a rhombus, which lies on a crystallographic twofold axis bisecting the two diacid molecules. The O—H⋯N hydrogen bonds have lengths 2.6808 (19) and 2.6518 (19) Å, and, in each ring, both acid molecules have the same handedness. 相似文献
19.
brahim Uar Ahmet Bulut Okan Zafer Yeilel Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m563-m566
The title mononuclear complex, [Ni(C5H2N2O4)(C3H4N2)2(H2O)2] or [Ni(HOr)(im)2(H2O)2] (im is imidazole and H3Or is orotic acid, or 2,6‐dioxo‐1,2,3,6‐tetrahydropyrimidine‐4‐carboxylic acid), has been synthesized and the crystal structure determination is reported. The NiII ion in the complex has a distorted octahedral coordination geometry comprised of one deprotonated pyrimidine N atom and the adjacent carboxylate O atom of the orotate ligand, two tertiary imidazole N atoms and two aqua ligands. An extensive three‐dimensional network of OW—H⋯O and N—H⋯O hydrogen bonds, and π–π and π–ring interactions are responsible for crystal stabilization. 相似文献
20.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o6-o8
The title compound, C16H16N2O, which contains a double bond connecting an azabicyclic ring system to an indol‐3‐ylmethylene group, crystallizes from a solution in ethyl acetate. The geometries of the two crystallographically independent molecules are nearly identical. The crystal packing of the title compound involves two types of intermolecular hydrogen bond. 相似文献