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5-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

ABSTRACT: In the title compound, C(9)H(7)N(5)·H(2)O, the inter-planar angles between the benzene and tetra-zole rings and between the benzene and imidazole rings are 8.71?(3) and 1.32?(2)°, respectively. In the crystal, strong N-H?N hydrogen bonds link the organic 5-(1H-tetra-zol-5-yl)-1H-indole mol-ecules into chains extended along the b axis. The chains are further inter-connected into layers parallel to (100) via strong O-H?N and N-H?O hydrogen bonds. Furthermore, the layers are inter-connected via strong O-H?N hydrogen bonds. Moreover, cohesion between the layers is provided by the ?-? inter-actions between the imidazole, tetra-zole and benzene rings with centroid-centroid distances of 3.766?(2), 3.832?(2) and 3.733?(2)?Å.

SUBMITTER: Cai XW 

PROVIDER: S-EPMC3120397 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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5-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

Cai Xing-Wei XW   Lu Hong-Fei HF   Zhou Zhen Z  

Acta crystallographica. Section E, Structure reports online 20110528 Pt 6

In the title compound, C(9)H(7)N(5)·H(2)O, the inter-planar angles between the benzene and tetra-zole rings and between the benzene and imidazole rings are 8.71 (3) and 1.32 (2)°, respectively. In the crystal, strong N-H⋯N hydrogen bonds link the organic 5-(1H-tetra-zol-5-yl)-1H-indole mol-ecules into chains extended along the b axis. The chains are further inter-connected into layers parallel to (100) via strong O-H⋯N and N-H⋯O hydrogen bonds. Furthermore, the layers are inter-connected via str  ...[more]

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