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6-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

ABSTRACT: In the title compound, C(9)H(7)N(5)·H(2)O, the tetra-zole ring forms a dihedral angle of 1.82?(1)° with the mean plane of the indole fragment. In the crystal, mol-ecules are linked by inter-molecular O-H?N, N-H?O and N-H?N hydrogen bonds into a two-dimensional network parallel to (100). Addtional stabilization is provide by weak ?-? inter-actions with a centroid-centroid distance of 3.698?(2)?Å.

SUBMITTER: Ge YH

PROVIDER: S-EPMC3052125 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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6-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

Ge Yu-Hua YH Han Pei P Wei Ping P Ou-Yang Ping-Kai PK

Acta crystallographica. Section E, Structure reports online 20110223 Pt 3

In the title compound, C(9)H(7)N(5)·H(2)O, the tetra-zole ring forms a dihedral angle of 1.82 (1)° with the mean plane of the indole fragment. In the crystal, mol-ecules are linked by inter-molecular O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds into a two-dimensional network parallel to (100). Addtional stabilization is provide by weak π-π inter-actions with a centroid-centroid distance of 3.698 (2) Å. ...[more]

PMID: 21522437

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

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