1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one

In the title compound, C(8)H(6)ClN(3)O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra­molecular C—H⋯O inter­action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(8) loops and C—H⋯O inter­act...

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Detalles Bibliográficos
Autores principales: Kattimani, Pramod P., Kamble, Ravindra R., Kumbar, Mahadev N., Arunkashi, H. K., Devarajegowda, H. C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998536/
https://www.ncbi.nlm.nih.gov/pubmed/24826187
http://dx.doi.org/10.1107/S1600536814006412
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author Kattimani, Pramod P.
Kamble, Ravindra R.
Kumbar, Mahadev N.
Arunkashi, H. K.
Devarajegowda, H. C.
author_facet Kattimani, Pramod P.
Kamble, Ravindra R.
Kumbar, Mahadev N.
Arunkashi, H. K.
Devarajegowda, H. C.
author_sort Kattimani, Pramod P.
collection PubMed
description In the title compound, C(8)H(6)ClN(3)O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra­molecular C—H⋯O inter­action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(8) loops and C—H⋯O inter­actions link the dimers into [100] chains. Weak π–π stacking inter­actions [centroid–centroid distance = 3.644 (1) Å] are also observed.
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spelling pubmed-39985362014-05-13 1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one Kattimani, Pramod P. Kamble, Ravindra R. Kumbar, Mahadev N. Arunkashi, H. K. Devarajegowda, H. C. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(6)ClN(3)O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra­molecular C—H⋯O inter­action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(8) loops and C—H⋯O inter­actions link the dimers into [100] chains. Weak π–π stacking inter­actions [centroid–centroid distance = 3.644 (1) Å] are also observed. International Union of Crystallography 2014-03-29 /pmc/articles/PMC3998536/ /pubmed/24826187 http://dx.doi.org/10.1107/S1600536814006412 Text en © Kattimani et al. 2014 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
Kattimani, Pramod P.
Kamble, Ravindra R.
Kumbar, Mahadev N.
Arunkashi, H. K.
Devarajegowda, H. C.
1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one
title 1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one
title_full 1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one
title_fullStr 1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one
title_full_unstemmed 1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one
title_short 1-(4-Chloro­phen­yl)-1H-1,2,4-triazol-5(4H)-one
title_sort 1-(4-chloro­phen­yl)-1h-1,2,4-triazol-5(4h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998536/
https://www.ncbi.nlm.nih.gov/pubmed/24826187
http://dx.doi.org/10.1107/S1600536814006412
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