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Dimethyl 9-benzyl-3-cyano-9H-pyrrolo[1,2-a]benzimidazole-1,2-dicarboxyl-ate.

ABSTRACT: The title compound, C(22)H(17)N(3)O(4), was prepared through 1,3-dipolar cyclo-addition: the dihedral angle between the benzimidazole and benzene rings is 80.93?(6)°. The crystal structure is stabilized by weak ?-? inter-actions between the planar pyrrolobenzimidazole rings (r.m.s. deviation = 0.0293?Å) of neighbouring mol-ecules, forming chains along the c axis. The perpendicular distance is 3.47?(2)?Å and the centroid-centroid distances are in the range of 3.590?(3)-3.944?(3)?Å.

SUBMITTER: Gu WJ

PROVIDER: S-EPMC2972134 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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Dimethyl 9-benzyl-3-cyano-9H-pyrrolo[1,2-a]benzimidazole-1,2-dicarboxyl-ate.

Gu Wei-Jin WJ Jiang Yu-Liang YL Wang Bing-Xiang BX

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12

The title compound, C(22)H(17)N(3)O(4), was prepared through 1,3-dipolar cyclo-addition: the dihedral angle between the benzimidazole and benzene rings is 80.93 (6)°. The crystal structure is stabilized by weak π-π inter-actions between the planar pyrrolobenzimidazole rings (r.m.s. deviation = 0.0293 Å) of neighbouring mol-ecules, forming chains along the c axis. The perpendicular distance is 3.47 (2) Å and the centroid-centroid distances are in the range of 3.590 (3)-3.944 (3) Å. ...[more]

PMID: 21578873

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