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

In the crystal structure of the title compound, C(10)H(8)N(4)·H(2)O, the organic mol­ecules are approximately planar [maximum deviation from the least-squares plane = 0.041 (2) Å]. Two mol­ecules are connected by two water mol­ecules via O—H⋯N hydrogen bonding into dimers, which are located around c...

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Detalles Bibliográficos
Autores principales: Dutkiewicz, Grzegorz, Chidan Kumar, C. S., Yathirajan, H. S., Mayekar, A. N., Kubicki, Maciej
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971311/
https://www.ncbi.nlm.nih.gov/pubmed/21578298
http://dx.doi.org/10.1107/S1600536809040677
Descripción
Sumario:In the crystal structure of the title compound, C(10)H(8)N(4)·H(2)O, the organic mol­ecules are approximately planar [maximum deviation from the least-squares plane = 0.041 (2) Å]. Two mol­ecules are connected by two water mol­ecules via O—H⋯N hydrogen bonding into dimers, which are located around centres of inversion. In the crystal, mol­ecules 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 3.591 (2) Å].