Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
In the title compound, C16H10Cl2N2O2S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxadiazole ring are 6.54 (9) and 6.94 (8)°. In the crystal, C—H...N hydrogen bonding links the molecules into undulating ribbons running parallel to the b axis. Hirshfeld surfac...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-04-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989017003978 |
| _version_ | 1818974323750207488 |
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| author | Rajesh Kumar Shafqat Hussain Khalid M. Khan Shahnaz Perveen Sammer Yousuf |
| author_facet | Rajesh Kumar Shafqat Hussain Khalid M. Khan Shahnaz Perveen Sammer Yousuf |
| author_sort | Rajesh Kumar |
| collection | DOAJ |
| description | In the title compound, C16H10Cl2N2O2S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxadiazole ring are 6.54 (9) and 6.94 (8)°. In the crystal, C—H...N hydrogen bonding links the molecules into undulating ribbons running parallel to the b axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H...C (18%), H...H (17%), H...Cl (16.6%), H...O (10.4%), H...N (8.9%) and H...S (5.9%) interactions. |
| first_indexed | 2024-12-20T15:38:14Z |
| format | Article |
| id | doaj.art-d26ece3c4f3d47c18996f25b30e5043d |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T15:38:14Z |
| publishDate | 2017-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-d26ece3c4f3d47c18996f25b30e5043d2022-12-21T19:35:19ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-04-0173452452710.1107/S2056989017003978rz5206Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanoneRajesh Kumar0Shafqat Hussain1Khalid M. Khan2Shahnaz Perveen3Sammer Yousuf4H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi-75270, PakistanKarakoram International University, Gilgit, PakistanH. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi-75270, PakistanPCSIR Laboratories Complex, Karachi, PakistanH. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi-75270, PakistanIn the title compound, C16H10Cl2N2O2S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxadiazole ring are 6.54 (9) and 6.94 (8)°. In the crystal, C—H...N hydrogen bonding links the molecules into undulating ribbons running parallel to the b axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H...C (18%), H...H (17%), H...Cl (16.6%), H...O (10.4%), H...N (8.9%) and H...S (5.9%) interactions.http://scripts.iucr.org/cgi-bin/paper?S2056989017003978oxadizolechlorophenylX-ray structureHirshfeld surface analysiscrystal structure |
| spellingShingle | Rajesh Kumar Shafqat Hussain Khalid M. Khan Shahnaz Perveen Sammer Yousuf Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone Acta Crystallographica Section E: Crystallographic Communications oxadizole chlorophenyl X-ray structure Hirshfeld surface analysis crystal structure |
| title | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
| title_full | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
| title_short | Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone |
| title_sort | crystal structure and hirshfeld surface analysis of 1 4 chlorophenyl 2 5 4 chlorophenyl 1 3 4 oxadiazol 2 yl sulfanyl ethanone |
| topic | oxadizole chlorophenyl X-ray structure Hirshfeld surface analysis crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989017003978 |
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