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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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:
Organic Papers
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
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author Dutkiewicz, Grzegorz
Chidan Kumar, C. S.
Yathirajan, H. S.
Mayekar, A. N.
Kubicki, Maciej
author_facet Dutkiewicz, Grzegorz
Chidan Kumar, C. S.
Yathirajan, H. S.
Mayekar, A. N.
Kubicki, Maciej
author_sort Dutkiewicz, Grzegorz
collection PubMed
description 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].
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spelling pubmed-29713112010-12-30 3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate Dutkiewicz, Grzegorz Chidan Kumar, C. S. Yathirajan, H. S. Mayekar, A. N. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers 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]. International Union of Crystallography 2009-10-10 /pmc/articles/PMC2971311/ /pubmed/21578298 http://dx.doi.org/10.1107/S1600536809040677 Text en © Dutkiewicz et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Dutkiewicz, Grzegorz
Chidan Kumar, C. S.
Yathirajan, H. S.
Mayekar, A. N.
Kubicki, Maciej
3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
title 3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
title_full 3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
title_fullStr 3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
title_full_unstemmed 3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
title_short 3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
title_sort 3-methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971311/
https://www.ncbi.nlm.nih.gov/pubmed/21578298
http://dx.doi.org/10.1107/S1600536809040677
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AT mayekaran 3methyl124triazolo34aphthalazinemonohydrate
AT kubickimaciej 3methyl124triazolo34aphthalazinemonohydrate

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