(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one

The asymmetric unit of the title compound, C(19)H(17)N(3)O, contains two independent mol­ecules. In one mol­ecule, the essentially planar triazole ring [maximum deviation = 0.003 (2) Å] forms dihedral angles of 5.57 (12) and 87.51 (12)° with the two phenyl rings, while in the other mol­ecule [maximu...

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Autores principales: Fun, Hoong-Kun, Hemamalini, Madhukar, Shanmugavelan, Poovan, Ponnuswamy, Alagusundaram, Jagatheesan, Rathinavel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201398/
https://www.ncbi.nlm.nih.gov/pubmed/22065569
http://dx.doi.org/10.1107/S1600536811037871
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author Fun, Hoong-Kun
Hemamalini, Madhukar
Shanmugavelan, Poovan
Ponnuswamy, Alagusundaram
Jagatheesan, Rathinavel
author_facet Fun, Hoong-Kun
Hemamalini, Madhukar
Shanmugavelan, Poovan
Ponnuswamy, Alagusundaram
Jagatheesan, Rathinavel
author_sort Fun, Hoong-Kun
collection PubMed
description The asymmetric unit of the title compound, C(19)H(17)N(3)O, contains two independent mol­ecules. In one mol­ecule, the essentially planar triazole ring [maximum deviation = 0.003 (2) Å] forms dihedral angles of 5.57 (12) and 87.51 (12)° with the two phenyl rings, while in the other mol­ecule [maximum deviation in triazole ring = 0.001 (2) Å] these angles are 1.55 (10) and 82.73 (11)°. The dihedral angles between the two phenyl rings in the two mol­ecules are 87.77 (13) and 81.22 (11)°. In the crystal, the independent mol­ecules are connected via a weak C—H⋯N hydrogen bond, forming dimers. Further stabilization is provided by weak C—H⋯π inter­actions.
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spelling pubmed-32013982011-11-06 (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one Fun, Hoong-Kun Hemamalini, Madhukar Shanmugavelan, Poovan Ponnuswamy, Alagusundaram Jagatheesan, Rathinavel Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(19)H(17)N(3)O, contains two independent mol­ecules. In one mol­ecule, the essentially planar triazole ring [maximum deviation = 0.003 (2) Å] forms dihedral angles of 5.57 (12) and 87.51 (12)° with the two phenyl rings, while in the other mol­ecule [maximum deviation in triazole ring = 0.001 (2) Å] these angles are 1.55 (10) and 82.73 (11)°. The dihedral angles between the two phenyl rings in the two mol­ecules are 87.77 (13) and 81.22 (11)°. In the crystal, the independent mol­ecules are connected via a weak C—H⋯N hydrogen bond, forming dimers. Further stabilization is provided by weak C—H⋯π inter­actions. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201398/ /pubmed/22065569 http://dx.doi.org/10.1107/S1600536811037871 Text en © Fun et al. 2011 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
Fun, Hoong-Kun
Hemamalini, Madhukar
Shanmugavelan, Poovan
Ponnuswamy, Alagusundaram
Jagatheesan, Rathinavel
(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one
title (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one
title_full (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one
title_fullStr (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one
title_full_unstemmed (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one
title_short (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one
title_sort (e)-1-(1-benzyl-5-methyl-1h-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201398/
https://www.ncbi.nlm.nih.gov/pubmed/22065569
http://dx.doi.org/10.1107/S1600536811037871
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