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Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
In title compound, C(17)H(15)ClO(3), the dihedral angle between the benzene and chlorophenyl rings is 18.46 (7)°. In the crystal, molecules are linked by C—H⋯O hydrogen contacts, enclosing an R (2) (2)(14) ring motif, and by a further C—H⋯O hydrogen contact, forming a two-dimensional supramolecul...
| 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/PMC6038638/ https://www.ncbi.nlm.nih.gov/pubmed/30002889 http://dx.doi.org/10.1107/S205698901800837X |
| _version_ | 1783338537014263808 |
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| author | Sheshadri, S. N. Atioğlu, Zeliha Akkurt, Mehmet Chidan Kumar, C. S. Quah, Ching Kheng Siddaraju, B. P. Veeraiah, M. K. |
| author_facet | Sheshadri, S. N. Atioğlu, Zeliha Akkurt, Mehmet Chidan Kumar, C. S. Quah, Ching Kheng Siddaraju, B. P. Veeraiah, M. K. |
| author_sort | Sheshadri, S. N. |
| collection | PubMed |
| description | In title compound, C(17)H(15)ClO(3), the dihedral angle between the benzene and chlorophenyl rings is 18.46 (7)°. In the crystal, molecules are linked by C—H⋯O hydrogen contacts, enclosing an R (2) (2)(14) ring motif, and by a further C—H⋯O hydrogen contact, forming a two-dimensional supramolecular structure extending along the direction parallel to the ac plane. Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H⋯H contacts accounting for 36.2% of the surface. |
| format | Online Article Text |
| id | pubmed-6038638 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-60386382018-07-12 Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one Sheshadri, S. N. Atioğlu, Zeliha Akkurt, Mehmet Chidan Kumar, C. S. Quah, Ching Kheng Siddaraju, B. P. Veeraiah, M. K. Acta Crystallogr E Crystallogr Commun Research Communications In title compound, C(17)H(15)ClO(3), the dihedral angle between the benzene and chlorophenyl rings is 18.46 (7)°. In the crystal, molecules are linked by C—H⋯O hydrogen contacts, enclosing an R (2) (2)(14) ring motif, and by a further C—H⋯O hydrogen contact, forming a two-dimensional supramolecular structure extending along the direction parallel to the ac plane. Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H⋯H contacts accounting for 36.2% of the surface. International Union of Crystallography 2018-06-08 /pmc/articles/PMC6038638/ /pubmed/30002889 http://dx.doi.org/10.1107/S205698901800837X Text en © Sheshadri 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 Sheshadri, S. N. Atioğlu, Zeliha Akkurt, Mehmet Chidan Kumar, C. S. Quah, Ching Kheng Siddaraju, B. P. Veeraiah, M. K. Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| title | Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| title_full | Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| title_short | Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| title_sort | crystal structure and hirshfeld surface analysis of (2e)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038638/ https://www.ncbi.nlm.nih.gov/pubmed/30002889 http://dx.doi.org/10.1107/S205698901800837X |
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