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

ABSTRACT: 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.

SUBMITTER: Kia R

PROVIDER: S-EPMC2968807 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

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

Kia Reza R Fun Hoong-Kun HK Kargar Hadi H

Acta crystallographica. Section E, Structure reports online 20090319 Pt 4

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. ...[more]

PMID: 21582522

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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 ?-? stacking [centroid-centroid distance = 3.8254?(6)?Å] and C-H?? inter-actions.

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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.

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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.].

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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.

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2-(2-Methoxy-phen-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole.

Project description:In the title mol-ecule, C(12)H(15)NO(2), the oxazole ring adopts an envelope conformation. Overall, the mol-ecule is approximately planar, the dihedral angle between the mean plane through all but the methyl-ene C atom of the five-membered ring and the aromatic ring being 8.6?(1)°. A weak C-H?O inter-action contributes to the stabilization of the crystal structure.

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

Project description: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.

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2-(4-Fluoro-phen-yl)-1-(3-meth-oxy-phen-yl)-4,5-dimethyl-1H-imidazole.

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Project description:In the title compound, C(19)H(19)FN(2)O(2), the imidazole ring is essentially planar [maximum deviation = 0.0030 (8) Å] and makes dihedral angles of 66.45 (7) and 29.98 (7)° with the benzene rings attached to the ring N and C atoms, respectively. The dihedral angle between the two benzene rings is 64.79 (7)°. A C-H⋯π inter-action is found in the crystal structure. The two meth-oxy groups were found to be disordered over two sets of sites with occupancy factors of 0.803 (4) and 0.197 (4). The F atom is disordered over two sites with occupancy factors of 0.929 (4) and 0.071 (4).

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2-(4-Fluoro-phen-yl)-1-(4-meth-oxy-phen-yl)-4,5-dimethyl-1H-imidazole.

Project description:In the title compound, C(18)H(17)FN(2)O, the imidazole ring makes dihedral angles of 76.46 (7) and 40.68 (7)° with the meth-oxy-phenyl and fluoro-phenyl rings, respectively. The dihedral angle between the two benzene rings is 71.25 (6)°.

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2-(4-Bromo-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.

Project description:The title compound, C26H25BrN2, is isomorphous with the chloro derivative [2-(4-chloro-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole; Mohamed et al. (2013 ?). Acta Cryst. E69, o846-o847]. The two phenyl rings and the 4-bromo-phenyl ring are oriented at dihedral angles of 30.1?(2), 64.3?(3) and 42.0?(2)°, respectively, with respect to the imidazole ring. In the crystal, mol-ecules stack in columns along the b-axis direction, however, there are no significant inter-molecular inter-actions present.

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