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

ABSTRACT: 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.

SUBMITTER: Kia R

PROVIDER: S-EPMC2960053 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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

Kia Reza R Fun Hoong-Kun HK Kargar Hadi H

Acta crystallographica. Section E, Structure reports online 20081122 Pt 12

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 distanc ...[more]

PMID: 21581375

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

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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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