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2-(2-Thien-yl)-4,5-dihydro-1H-imidazole.

ABSTRACT: In title compound, C(7)H(8)N(2)S, the five-membered rings are twisted by a dihedral angle of 5.17?(10)°. Two inter-molecular N-H?N and C-H?N hydrogen bonds to the same acceptor N atom form seven-membered rings, producing R(2) (1)(7) ring motifs. These inter-actions link neighbouring mol-ecules into one-dimensional chains extended along the c axis. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

SUBMITTER: Kia R

PROVIDER: S-EPMC2968200 | biostudies-other | 2009 Jan

REPOSITORIES: biostudies-other

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2-(2-Thien-yl)-4,5-dihydro-1H-imidazole.

Kia Reza R Fun Hoong-Kun HK Kargar Hadi H

Acta crystallographica. Section E, Structure reports online 20090114 Pt 2

In title compound, C(7)H(8)N(2)S, the five-membered rings are twisted by a dihedral angle of 5.17 (10)°. Two inter-molecular N-H⋯N and C-H⋯N hydrogen bonds to the same acceptor N atom form seven-membered rings, producing R(2) (1)(7) ring motifs. These inter-actions link neighbouring mol-ecules into one-dimensional chains extended along the c axis. The crystal structure is further stabilized by weak inter-molecular C-H⋯π inter-actions. ...[more]

PMID: 21581910

Similar Datasets

Erratum: 2-(2-Thien-yl)-4,5-dihydro-1H-imidazole. Corrigendum.

Project description:Consideration of a previous unrecognized twinning of the original investigated crystal of the title compound [Kia et al. (2009 ?). Acta Cryst. E65, o301] led to improved reliability factors and to a slightly higher precision for all geometric parameters. The crystal under investigation was twinned by pseudo-merohedry with [100, 00, 00]?as the twin matrix and a refined twin domain fraction of 0.9610?(5):0.0390?(5). The results of the new crystal structure refinement are given here.[This corrects the article DOI: 10.1107/S1600536809001068.].

| S-EPMC2969655 | biostudies-literature

2-[4-(4,5-Dihydro-1H-pyrrol-2-yl)phen-yl]-4,5-dihydro-1H-imidazole.

Project description:The mol-ecule of the title compound, C(12)H(14)N(4), lies about a crystallographic inversion centre. The five- and six-membered rings are twisted from each other, forming a dihedral angle of 18.06 (7)°. In the crystal structure, neighbouring mol-ecules are linked by inter-molecular N-H⋯N hydrogen bonds into one-dimensional infinite chains forming 18-membered rings with R(2) (2)(18) motifs. The crystal structure is further stabilized by weak inter-molecular π-π stacking [centroid-centroid distance = 3.8254 (6) Å] and C-H⋯π inter-actions.

| S-EPMC2960053 | biostudies-literature

2-(4-Methoxy-phen-yl)-4,5-dihydro-1H-imidazole.

Project description:In the title mol-ecule, C(10)H(12)N(2)O, the dihedral angle between the benzene and imidazole rings is 14.86?(16)°. The approximately planar arrangement of the mol-ecule results in a distance of 2.54?Å between an ortho-H atom of the benzene ring and the double-bonded N atom of the imidazole ring. In the crystal structure, symmetry-related mol-ecules are linked by inter-molecular N-H?N hydrogen bonds into one-dimensional chains extending along the a axis.

| S-EPMC2968807 | biostudies-literature

2-(3-Chloro-phen-yl)-4,5-dihydro-1H-imidazole.

Project description:In the title compound, C(9)H(9)ClN(2), a substituted imidazoline, the six- and five-membered rings are twisted from each other, making a dihedral angle of 17.07?(5)°. In the crystal structure, a short Cl?Cl [3.3540?(3)?Å] inter-action is observed. Neighbouring mol-ecules are linked together by inter-molecular N-H?N hydrogen bonds into a one-dimensional infinite chain along the [101] direction and short Cl?Cl contacts link the chains into a three-dimensional network. There is also a significant ?-stacking inter-action between the planar sections of the six- and five-membered rings.

| S-EPMC2968295 | biostudies-literature

2-p-Tolyl-4,5-dihydro-1H-imidazole.

Project description:In the mol-ecule of the title compound, C(10)H(12)N(2), the six- and five-membered rings are almost co-planar, forming a dihedral angle of 3.56 (8)°. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular N-H⋯N hydrogen bonds into one-dimensional infinite chains along the c axis. The crystal structure, is further stabilized by weak inter-molecular C-H⋯π and π-π stacking [centroid-centroid distance = 3.8892 (9) Å] inter-actions.

| S-EPMC2968814 | biostudies-literature

1-[3-(2,4-Dichloro-5-fluoro-phen-yl)-5-(3-methyl-2-thien-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the title mol-ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio-phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio-phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of inter-molecular C-H⋯O hydrogen bonds. A short inter-molecular Cl⋯S contact of 3.4250 (13) Å is also found.

| S-EPMC2959565 | biostudies-literature

6-Chloro-2-methyl-4-phenyl-3-[1-phenyl-5-(2-thien-yl)-4,5-dihydro-1H-pyrazol-3-yl]quinoline.

Project description:In the title mol-ecule, C(29)H(22)ClN(3)S, the quinoline ring system, thio-phene ring and phenyl ring substituents are inclined at angles of 71.70?(7), 59.26?(9) and 81.61?(9)°, respectively, to the 4,5-dihydro-pyrazole ring. In the 4-phenyl-quinoline ring system, the phenyl ring makes a dihedral angle of 62.49?(7)° with mean plane of quinoline ring system. In the crystal structure, mol-ecules are linked via weak inter-molecular C-H?N hydrogen bonds, forming an extended one-dimensional chain along the b axis and are further consolidated by C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.7022?(10)?Å].

| S-EPMC2971145 | biostudies-literature

2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phen-yl]-4,5-dihydro-1H-imidazol-3-ium 4-amino-benzoate.

Project description:In the cation of the title compound, C(12)H(15)N(4) (+)·C(7)H(6)NO(2) (-), the benzene ring makes dihedral angles of 30.51?(9) and 25.64?(9)° with the imidazole and imidazolinium rings, respectively. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bonding inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3050166 | biostudies-literature

4,5-Bis(1H-tetra-zol-5-yl)-1H-imidazole monohydrate.

Project description:The title compound, C(5)H(4)N(10)·H(2)O, is composed of three five-membered rings that are essentially coplanar, the dihedral angles between the imidazole ring and the tetra-zole rings being 3.5?(2) and 3.0?(2)°. In the crystal, inter-molecular O-H?N, N-H?O and N-H?N hydrogen bonds lead to the formation of a three-dimensional network. An intra-molecular N-H?N hydrogen bond is also present.

| S-EPMC2969525 | biostudies-literature

2-(4,5-Dihydro-1H-imidazol-2-yl)-pyridine.

Project description:In the mol-ecule of the title compound, C(8)H(9)N(3), a new imidazoline derivative, the six- and five-membered rings are slightly twisted away from each other, forming a dihedral angle of 7.96 (15)°. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular N-H⋯N hydrogen bonds into extended one-dimensional chains along the a axis. The pyridine N atom is in close proximity to a carbon-bound H atom of the imidazoline ring, with an H⋯N distance of 2.70 Å, which is slightly shorter than the sum of the van der Waals radii of these atoms (2.75 Å). The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π inter-actions (centroid-to-centroid distance 3.853 Å).

| S-EPMC2969000 | biostudies-literature

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