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3-Meth-oxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate.

ABSTRACT: In the title hydrate, C(4)H(7)N(3)O(2)·H(2)O, all the non-H atoms lie on a crystallographic mirror plane. The H atoms of both methyl groups are disordered over two sets of sites. In the crystal, N-H?O(w) and O(w)-H?O(k) (w = water and k = ketone) hydrogen bonds link the components into (010) sheets.

SUBMITTER: Gao W

PROVIDER: S-EPMC3379480 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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3-Meth-oxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate.

Gao Wei W Wang Xin-Ling XL Yang Jing J Wu Xue-Fen XF

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

In the title hydrate, C(4)H(7)N(3)O(2)·H(2)O, all the non-H atoms lie on a crystallographic mirror plane. The H atoms of both methyl groups are disordered over two sets of sites. In the crystal, N-H⋯O(w) and O(w)-H⋯O(k) (w = water and k = ketone) hydrogen bonds link the components into (010) sheets. ...[more]

PMID: 22719678

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