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Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene
In the title compound, C(25)H(22)O, the two rings of the naphthalene system are inclined to each other by 3.06 (15)°. The mean plane of the naphthalene ring system makes a dihedral angle of 65.24 (12)° with the dimethylphenyl ring and 55.82 (12)° with the methoxyphenyl ring. The dimethylphenyl...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038635/ https://www.ncbi.nlm.nih.gov/pubmed/30002890 http://dx.doi.org/10.1107/S2056989018008332 |
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author | Mohamooda Sumaya, U. KarunaKaran, J. Biruntha, K. MohanaKrishnan, A. K. Usha, G. |
author_facet | Mohamooda Sumaya, U. KarunaKaran, J. Biruntha, K. MohanaKrishnan, A. K. Usha, G. |
author_sort | Mohamooda Sumaya, U. |
collection | PubMed |
description | In the title compound, C(25)H(22)O, the two rings of the naphthalene system are inclined to each other by 3.06 (15)°. The mean plane of the naphthalene ring system makes a dihedral angle of 65.24 (12)° with the dimethylphenyl ring and 55.82 (12)° with the methoxyphenyl ring. The dimethylphenyl ring is inclined to the methoxyphenyl ring by 59.28 (14)°. In the crystal, adjacent molecules are linked via C—H⋯π interactions, forming chains along [100]. Using Hirshfeld surface and two-dimensional fingerprint plots, the presence of short intermolecular interactions in the crystal structure were analysed. The intermolecular interaction energies were also calculated and their distribution over the crystal structure was visualized graphically using energy frameworks. |
format | Online Article Text |
id | pubmed-6038635 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-60386352018-07-12 Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene Mohamooda Sumaya, U. KarunaKaran, J. Biruntha, K. MohanaKrishnan, A. K. Usha, G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(25)H(22)O, the two rings of the naphthalene system are inclined to each other by 3.06 (15)°. The mean plane of the naphthalene ring system makes a dihedral angle of 65.24 (12)° with the dimethylphenyl ring and 55.82 (12)° with the methoxyphenyl ring. The dimethylphenyl ring is inclined to the methoxyphenyl ring by 59.28 (14)°. In the crystal, adjacent molecules are linked via C—H⋯π interactions, forming chains along [100]. Using Hirshfeld surface and two-dimensional fingerprint plots, the presence of short intermolecular interactions in the crystal structure were analysed. The intermolecular interaction energies were also calculated and their distribution over the crystal structure was visualized graphically using energy frameworks. International Union of Crystallography 2018-06-08 /pmc/articles/PMC6038635/ /pubmed/30002890 http://dx.doi.org/10.1107/S2056989018008332 Text en © Mohamooda Sumaya et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Mohamooda Sumaya, U. KarunaKaran, J. Biruntha, K. MohanaKrishnan, A. K. Usha, G. Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene |
title | Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene |
title_full | Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene |
title_fullStr | Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene |
title_short | Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene |
title_sort | crystal structure and hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038635/ https://www.ncbi.nlm.nih.gov/pubmed/30002890 http://dx.doi.org/10.1107/S2056989018008332 |
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