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(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one
The asymmetric unit of the title compound, C(21)H(18)O(2)S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and 52.6...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394057/ https://www.ncbi.nlm.nih.gov/pubmed/22798922 http://dx.doi.org/10.1107/S1600536812028930 |
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author | Fun, Hoong-Kun Chia, Tze Shyang Padaki, Mahesh Isloor, Arun M. Ismail, A. F. |
author_facet | Fun, Hoong-Kun Chia, Tze Shyang Padaki, Mahesh Isloor, Arun M. Ismail, A. F. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | The asymmetric unit of the title compound, C(21)H(18)O(2)S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and 52.69 (12)° (molecule B) with the benzene ring. In molecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in molecule B. In the crystal, molecules are linked by intermolecular C—H⋯O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C—H⋯π interactions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16). |
format | Online Article Text |
id | pubmed-3394057 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33940572012-07-13 (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one Fun, Hoong-Kun Chia, Tze Shyang Padaki, Mahesh Isloor, Arun M. Ismail, A. F. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(21)H(18)O(2)S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and 52.69 (12)° (molecule B) with the benzene ring. In molecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in molecule B. In the crystal, molecules are linked by intermolecular C—H⋯O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C—H⋯π interactions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16). International Union of Crystallography 2012-06-30 /pmc/articles/PMC3394057/ /pubmed/22798922 http://dx.doi.org/10.1107/S1600536812028930 Text en © Fun et al. 2012 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 Chia, Tze Shyang Padaki, Mahesh Isloor, Arun M. Ismail, A. F. (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title | (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_full | (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_fullStr | (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_full_unstemmed | (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_short | (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_sort | (2e)-3-(6-methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394057/ https://www.ncbi.nlm.nih.gov/pubmed/22798922 http://dx.doi.org/10.1107/S1600536812028930 |
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