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3-Amino-benzonitrile-3,5-dinitro-benzoic acid (1/1).

ABSTRACT: The asymmetric unit of the title co-crystal, C(7)H(6)N(2)·C(7)H(4)N(2)O(6), contains two formula units of both components. The crystal structure is stabilized by inter-molecular O-H?O, N-H?O, N-H?N and C-H?O hydrogen bonds, generating a two-dimensional wave-like network. ?-? stacking inter-actions [centroid-centroid distances = 3.702?(2), 3.660?(2)and 3.671?(2)?Å] stabilize the crystal packing.

SUBMITTER: Ding X

PROVIDER: S-EPMC3247572 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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3-Amino-benzonitrile-3,5-dinitro-benzoic acid (1/1).

Ding Xuehua X Wang Shi S He Wenrui W Huang Wei W

Acta crystallographica. Section E, Structure reports online 20111005 Pt 11

The asymmetric unit of the title co-crystal, C(7)H(6)N(2)·C(7)H(4)N(2)O(6), contains two formula units of both components. The crystal structure is stabilized by inter-molecular O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds, generating a two-dimensional wave-like network. π-π stacking inter-actions [centroid-centroid distances = 3.702 (2), 3.660 (2)and 3.671 (2) Å] stabilize the crystal packing. ...[more]

PMID: 22219877

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