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2,4-Dibromo-6-[(quinolin-8-yl-amino)-methyl-idene]cyclo-hexa-2,4-dien-1-one monohydrate.

ABSTRACT: In the title compound, C(16)H(10)Br(2)N(2)O·H(2)O, bifurcated intra-molecular N-H?(N,O) hydrogen bonding defines the essential planarity of the main mol-ecule: the dihedral angle between the quinoline and benzene rings is 7.53?(8)°. Inter-molecular O-H?O and weak C-H?O hydrogen bonds consolidate the crystal packing, which exhibits ?-? inter-actions with a distance of 3.588?(1)?Å between the centroids of the aromatic rings and short Br?Br contacts of 3.5757?(6)?Å.

SUBMITTER: Kawamoto K

PROVIDER: S-EPMC3239023 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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2,4-Dibromo-6-[(quinolin-8-yl-amino)-methyl-idene]cyclo-hexa-2,4-dien-1-one monohydrate.

Kawamoto Keisuke K Shibahara Takashi T

Acta crystallographica. Section E, Structure reports online 20111119 Pt 12

In the title compound, C(16)H(10)Br(2)N(2)O·H(2)O, bifurcated intra-molecular N-H⋯(N,O) hydrogen bonding defines the essential planarity of the main mol-ecule: the dihedral angle between the quinoline and benzene rings is 7.53 (8)°. Inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds consolidate the crystal packing, which exhibits π-π inter-actions with a distance of 3.588 (1) Å between the centroids of the aromatic rings and short Br⋯Br contacts of 3.5757 (6) Å. ...[more]

PMID: 22199871

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