Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

In the title compound, C15H10BrN3O2S, the dihedral angles between the 1,3,4-oxadiazole ring and the 3-pyridinyl and bromobenzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the molecules are linked into [100] chains by way of C—H...O, C—H...N, C—H...S hydrogen bonds. The Hirs...

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Main Authors: Huma Bano, Shafqat Hussain, Khalid M. Khan, Shahnaz Perveen, Sammer Yousuf
Format: Article
Language:English
Published: International Union of Crystallography 2017-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
oxadizole
bromophenyl
X-ray structure
Hirshfeld surface analysis
crystal structure
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989017004819
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spelling doaj-8b27cf1d334e4dd9a1a491012d6104012020-11-24T20:55:04ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-04-0173462362610.1107/S2056989017004819hb7660Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-oneHuma Bano0Shafqat 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, Sahrah-e-Dr. Salimuzzaman Siddiqui, Karachi-75280, PakistanIn the title compound, C15H10BrN3O2S, the dihedral angles between the 1,3,4-oxadiazole ring and the 3-pyridinyl and bromobenzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the molecules are linked into [100] chains by way of C—H...O, C—H...N, C—H...S hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H...H (19.5%), N...H (17.3%), C...H (15.5%), Br...H (11.7%), and O...H (11.0%) interactions.http://scripts.iucr.org/cgi-bin/paper?S2056989017004819oxadizolebromophenylX-ray structureHirshfeld surface analysiscrystal structure
collection DOAJ
language English
format Article
sources DOAJ
author Huma Bano
Shafqat Hussain
Khalid M. Khan
Shahnaz Perveen
Sammer Yousuf
spellingShingle Huma Bano
Shafqat Hussain
Khalid M. Khan
Shahnaz Perveen
Sammer Yousuf
Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Acta Crystallographica Section E: Crystallographic Communications
oxadizole
bromophenyl
X-ray structure
Hirshfeld surface analysis
crystal structure
author_facet Huma Bano
Shafqat Hussain
Khalid M. Khan
Shahnaz Perveen
Sammer Yousuf
author_sort Huma Bano
title Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
title_short Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
title_full Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
title_fullStr Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
title_sort crystal structure and hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2017-04-01
description In the title compound, C15H10BrN3O2S, the dihedral angles between the 1,3,4-oxadiazole ring and the 3-pyridinyl and bromobenzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the molecules are linked into [100] chains by way of C—H...O, C—H...N, C—H...S hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H...H (19.5%), N...H (17.3%), C...H (15.5%), Br...H (11.7%), and O...H (11.0%) interactions.
topic oxadizole
bromophenyl
X-ray structure
Hirshfeld surface analysis
crystal structure
url http://scripts.iucr.org/cgi-bin/paper?S2056989017004819
work_keys_str_mv AT humabano crystalstructureandhirshfeldsurfaceanalysisof14bromophenyl25pyridin3yl134oxadiazol2ylsulfanylethan1one
AT shafqathussain crystalstructureandhirshfeldsurfaceanalysisof14bromophenyl25pyridin3yl134oxadiazol2ylsulfanylethan1one
AT khalidmkhan crystalstructureandhirshfeldsurfaceanalysisof14bromophenyl25pyridin3yl134oxadiazol2ylsulfanylethan1one
AT shahnazperveen crystalstructureandhirshfeldsurfaceanalysisof14bromophenyl25pyridin3yl134oxadiazol2ylsulfanylethan1one
AT sammeryousuf crystalstructureandhirshfeldsurfaceanalysisof14bromophenyl25pyridin3yl134oxadiazol2ylsulfanylethan1one
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