3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride

The molecule of the title compound, C(14)H(7)Cl(2)NO(2), is not planar; the dihedral angle between the mean planes of the chloro­phenyl and benzisoxazole rings is 20.32 (7)°. The carbonyl chloride group is twisted with respect to the benzisoxazole ring by 2.5 (1)°. The mol­ecular conformation is sta...

Descripción completa

Detalles Bibliográficos
Autores principales: Teslenko, Yuriy, Matiychuk, Vasyl, Obushak, Mykola, Kinzhybalo, Vasyl, Ślepokura, Katarzyna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959907/
https://www.ncbi.nlm.nih.gov/pubmed/21581388
http://dx.doi.org/10.1107/S1600536808037872
_version_ 1782188612176052224
author Teslenko, Yuriy
Matiychuk, Vasyl
Obushak, Mykola
Kinzhybalo, Vasyl
Ślepokura, Katarzyna
author_facet Teslenko, Yuriy
Matiychuk, Vasyl
Obushak, Mykola
Kinzhybalo, Vasyl
Ślepokura, Katarzyna
author_sort Teslenko, Yuriy
collection PubMed
description The molecule of the title compound, C(14)H(7)Cl(2)NO(2), is not planar; the dihedral angle between the mean planes of the chloro­phenyl and benzisoxazole rings is 20.32 (7)°. The carbonyl chloride group is twisted with respect to the benzisoxazole ring by 2.5 (1)°. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯Cl hydrogen bond. In the crystal packing, adjacent mol­ecules are linked into dimers by inter­molecular C—H⋯O hydrogen bonds. The dimers are further stacked into columns along the unique axis direction by π–π stacking inter­actions, with a centroid⋯centroid distance of 3.828 (5) Å. Other weak inter­molecular C—H⋯O and C—H⋯Cl inter­actions are also present.
format Text
id pubmed-2959907
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29599072010-12-30 3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride Teslenko, Yuriy Matiychuk, Vasyl Obushak, Mykola Kinzhybalo, Vasyl Ślepokura, Katarzyna Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the title compound, C(14)H(7)Cl(2)NO(2), is not planar; the dihedral angle between the mean planes of the chloro­phenyl and benzisoxazole rings is 20.32 (7)°. The carbonyl chloride group is twisted with respect to the benzisoxazole ring by 2.5 (1)°. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯Cl hydrogen bond. In the crystal packing, adjacent mol­ecules are linked into dimers by inter­molecular C—H⋯O hydrogen bonds. The dimers are further stacked into columns along the unique axis direction by π–π stacking inter­actions, with a centroid⋯centroid distance of 3.828 (5) Å. Other weak inter­molecular C—H⋯O and C—H⋯Cl inter­actions are also present. International Union of Crystallography 2008-11-22 /pmc/articles/PMC2959907/ /pubmed/21581388 http://dx.doi.org/10.1107/S1600536808037872 Text en © Teslenko et al. 2008 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
Teslenko, Yuriy
Matiychuk, Vasyl
Obushak, Mykola
Kinzhybalo, Vasyl
Ślepokura, Katarzyna
3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride
title 3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride
title_full 3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride
title_fullStr 3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride
title_full_unstemmed 3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride
title_short 3-(4-Chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride
title_sort 3-(4-chloro­phen­yl)-2,1-benzisoxazole-5-carbonyl chloride
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959907/
https://www.ncbi.nlm.nih.gov/pubmed/21581388
http://dx.doi.org/10.1107/S1600536808037872
work_keys_str_mv AT teslenkoyuriy 34chlorophenyl21benzisoxazole5carbonylchloride
AT matiychukvasyl 34chlorophenyl21benzisoxazole5carbonylchloride
AT obushakmykola 34chlorophenyl21benzisoxazole5carbonylchloride
AT kinzhybalovasyl 34chlorophenyl21benzisoxazole5carbonylchloride
AT slepokurakatarzyna 34chlorophenyl21benzisoxazole5carbonylchloride

Ejemplares similares