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3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate.

ABSTRACT: In the crystal structure of the title compound, C(10)H(8)N(4)·H(2)O, the organic mol-ecules are approximately planar [maximum deviation from the least-squares plane = 0.041?(2)?Å]. Two mol-ecules are connected by two water mol-ecules via O-H?N hydrogen bonding into dimers, which are located around centres of inversion. In the crystal, mol-ecules are stacked in the a-axis direction, with mean distances between the ? systems of 3.43?(1) and 3.46?(1)?Å [centroid-centroid distances are 3.604?(2) and 3.591?(2)?Å].

SUBMITTER: Dutkiewicz G

PROVIDER: S-EPMC2971311 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate.

Dutkiewicz Grzegorz G Chidan Kumar C S CS Yathirajan H S HS Mayekar A N AN Kubicki Maciej M

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

In the crystal structure of the title compound, C(10)H(8)N(4)·H(2)O, the organic mol-ecules are approximately planar [maximum deviation from the least-squares plane = 0.041 (2) Å]. Two mol-ecules are connected by two water mol-ecules via O-H⋯N hydrogen bonding into dimers, which are located around centres of inversion. In the crystal, mol-ecules are stacked in the a-axis direction, with mean distances between the π systems of 3.43 (1) and 3.46 (1) Å [centroid-centroid distances are 3.604 (2) and ...[more]

PMID: 21578298

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