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4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(6)N(4)O(2)·H(2)O, consists of one 4-(1H-tetra-zol-5-yl)benzoic acid mol-ecule and one water mol-ecule. Hydrogen-bonding and ?-? stacking (centroid-centroid distance between tetra-zole and benzene rings = 3.78?Å) inter-actions link the mol-ecules into a three-dimensional network.

SUBMITTER: Li GQ

PROVIDER: S-EPMC2961711 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate.

Li Guo-Qing GQ Wu A-Qing AQ Li Yan Y Zheng Fa-Kun FK Guo Guo-Cong GC

Acta crystallographica. Section E, Structure reports online 20080628 Pt 7

The asymmetric unit of the title compound, C(8)H(6)N(4)O(2)·H(2)O, consists of one 4-(1H-tetra-zol-5-yl)benzoic acid mol-ecule and one water mol-ecule. Hydrogen-bonding and π-π stacking (centroid-centroid distance between tetra-zole and benzene rings = 3.78 Å) inter-actions link the mol-ecules into a three-dimensional network. ...[more]

PMID: 21202986

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