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Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile
In the title compound, C(16)H(11)Cl(2)N(3)O, the 4-methoxy-substituted benzene ring makes a dihedral angle of 41.86 (9)° with the benzene ring of the benzonitrile group. In the crystal, molecules are linked into layers parallel to (020) by C—H⋯O contacts and face-to-face π–π stacking interaction...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690439/ https://www.ncbi.nlm.nih.gov/pubmed/31417790 http://dx.doi.org/10.1107/S2056989019009642 |
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| author | Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Mukhtarova, Sevinc H. Mammadova, Gunay Z. Toze, Flavien A. A. |
| author_facet | Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Mukhtarova, Sevinc H. Mammadova, Gunay Z. Toze, Flavien A. A. |
| author_sort | Akkurt, Mehmet |
| collection | PubMed |
| description | In the title compound, C(16)H(11)Cl(2)N(3)O, the 4-methoxy-substituted benzene ring makes a dihedral angle of 41.86 (9)° with the benzene ring of the benzonitrile group. In the crystal, molecules are linked into layers parallel to (020) by C—H⋯O contacts and face-to-face π–π stacking interactions [centroid–centroid distances = 3.9116 (14) and 3.9118 (14) Å] between symmetry-related aromatic rings along the a-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Cl⋯H/H⋯Cl (22.8%), H⋯H (21.4%), N⋯H/H⋯N (16.1%), C⋯H/H⋯C (14.7%) and C⋯C (9.1%) interactions. |
| format | Online Article Text |
| id | pubmed-6690439 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2019 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-66904392019-08-15 Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Mukhtarova, Sevinc H. Mammadova, Gunay Z. Toze, Flavien A. A. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(11)Cl(2)N(3)O, the 4-methoxy-substituted benzene ring makes a dihedral angle of 41.86 (9)° with the benzene ring of the benzonitrile group. In the crystal, molecules are linked into layers parallel to (020) by C—H⋯O contacts and face-to-face π–π stacking interactions [centroid–centroid distances = 3.9116 (14) and 3.9118 (14) Å] between symmetry-related aromatic rings along the a-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Cl⋯H/H⋯Cl (22.8%), H⋯H (21.4%), N⋯H/H⋯N (16.1%), C⋯H/H⋯C (14.7%) and C⋯C (9.1%) interactions. International Union of Crystallography 2019-07-16 /pmc/articles/PMC6690439/ /pubmed/31417790 http://dx.doi.org/10.1107/S2056989019009642 Text en © Akkurt et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
| spellingShingle | Research Communications Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Mukhtarova, Sevinc H. Mammadova, Gunay Z. Toze, Flavien A. A. Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile |
| title | Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile |
| title_full | Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile |
| title_short | Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile |
| title_sort | crystal structure and hirshfeld surface analysis of (e)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690439/ https://www.ncbi.nlm.nih.gov/pubmed/31417790 http://dx.doi.org/10.1107/S2056989019009642 |
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