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Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph
The title compound, C(17)H(13)ClO, is the second monoclinic polymorph to crystallize in the space group P2(1)/c. The first polymorph crystallized with two independent molecules in the asymmetric unit [Bolognesi et al. (1975 ▸). Acta Cryst. A31, S119; Z′ = 2; no atomic coordinates available], wherea...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647395/ https://www.ncbi.nlm.nih.gov/pubmed/26594452 http://dx.doi.org/10.1107/S2056989015016151 |
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author | Haroon, Muhammad Akhtar, Tashfeen Tahir, Muhammad Nawaz |
author_facet | Haroon, Muhammad Akhtar, Tashfeen Tahir, Muhammad Nawaz |
author_sort | Haroon, Muhammad |
collection | PubMed |
description | The title compound, C(17)H(13)ClO, is the second monoclinic polymorph to crystallize in the space group P2(1)/c. The first polymorph crystallized with two independent molecules in the asymmetric unit [Bolognesi et al. (1975 ▸). Acta Cryst. A31, S119; Z′ = 2; no atomic coordinates available], whereas the title compound has Z′ = 1. In the title polymorph, the dihedral angle between the plane of the benzene ring of the tetralone moiety and that of the 4-chlorobenzyl ring is 52.21 (11)°. The cyclohex-2-en-1-one ring of the tetralone moiety has a screw-boat conformation. In the crystal, molecules are liked by pairs of C—H⋯π interactions forming inversion dimers. There are no other significant intermolecular interactions present. |
format | Online Article Text |
id | pubmed-4647395 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46473952015-11-20 Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph Haroon, Muhammad Akhtar, Tashfeen Tahir, Muhammad Nawaz Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(17)H(13)ClO, is the second monoclinic polymorph to crystallize in the space group P2(1)/c. The first polymorph crystallized with two independent molecules in the asymmetric unit [Bolognesi et al. (1975 ▸). Acta Cryst. A31, S119; Z′ = 2; no atomic coordinates available], whereas the title compound has Z′ = 1. In the title polymorph, the dihedral angle between the plane of the benzene ring of the tetralone moiety and that of the 4-chlorobenzyl ring is 52.21 (11)°. The cyclohex-2-en-1-one ring of the tetralone moiety has a screw-boat conformation. In the crystal, molecules are liked by pairs of C—H⋯π interactions forming inversion dimers. There are no other significant intermolecular interactions present. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647395/ /pubmed/26594452 http://dx.doi.org/10.1107/S2056989015016151 Text en © Haroon et al. 2015 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 | Data Reports Haroon, Muhammad Akhtar, Tashfeen Tahir, Muhammad Nawaz Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph |
title | Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph |
title_full | Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph |
title_fullStr | Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph |
title_full_unstemmed | Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph |
title_short | Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph |
title_sort | crystal structure of (e)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2h)-one: a second monoclinic polymorph |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647395/ https://www.ncbi.nlm.nih.gov/pubmed/26594452 http://dx.doi.org/10.1107/S2056989015016151 |
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