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Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene
A new polymorph of the title compound, C(14)H(8)Br(3)N(3)O(2), (form-2) was obtained in the same manner as the previously reported form-1 [Akkurt et al. (2022 ▸). Acta Cryst. E78, 732–736]. The structure of the new polymorph is stabilized by a C—H⋯O hydrogen bond that links molecules into chains. T...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361372/ https://www.ncbi.nlm.nih.gov/pubmed/35974833 http://dx.doi.org/10.1107/S2056989022007113 |
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author | Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Mammadova, Naila A. Babayeva, Gülnara V. Khrustalev, Victor N. Bhattarai, Ajaya |
author_facet | Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Mammadova, Naila A. Babayeva, Gülnara V. Khrustalev, Victor N. Bhattarai, Ajaya |
author_sort | Atioğlu, Zeliha |
collection | PubMed |
description | A new polymorph of the title compound, C(14)H(8)Br(3)N(3)O(2), (form-2) was obtained in the same manner as the previously reported form-1 [Akkurt et al. (2022 ▸). Acta Cryst. E78, 732–736]. The structure of the new polymorph is stabilized by a C—H⋯O hydrogen bond that links molecules into chains. These chains are linked by face-to-face π–π stacking interactions, resulting in a layered structure. Short inter-molecular Br⋯O contacts and van der Waals interactions between the layers aid in the cohesion of the crystal packing. In the previously reported form-1, C—H⋯Br interactions connect molecules into zigzag chains, which are linked by C—Br⋯π interactions into layers, whereas the van der Waals interactions between the layers stabilize the crystal packing of form-2. Hirshfeld molecular surface analysis was used to compare the intermolecular interactions of the polymorphs. |
format | Online Article Text |
id | pubmed-9361372 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-93613722022-08-15 Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Mammadova, Naila A. Babayeva, Gülnara V. Khrustalev, Victor N. Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications A new polymorph of the title compound, C(14)H(8)Br(3)N(3)O(2), (form-2) was obtained in the same manner as the previously reported form-1 [Akkurt et al. (2022 ▸). Acta Cryst. E78, 732–736]. The structure of the new polymorph is stabilized by a C—H⋯O hydrogen bond that links molecules into chains. These chains are linked by face-to-face π–π stacking interactions, resulting in a layered structure. Short inter-molecular Br⋯O contacts and van der Waals interactions between the layers aid in the cohesion of the crystal packing. In the previously reported form-1, C—H⋯Br interactions connect molecules into zigzag chains, which are linked by C—Br⋯π interactions into layers, whereas the van der Waals interactions between the layers stabilize the crystal packing of form-2. Hirshfeld molecular surface analysis was used to compare the intermolecular interactions of the polymorphs. International Union of Crystallography 2022-07-14 /pmc/articles/PMC9361372/ /pubmed/35974833 http://dx.doi.org/10.1107/S2056989022007113 Text en © Atioğlu et al. 2022 https://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. |
spellingShingle | Research Communications Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Mammadova, Naila A. Babayeva, Gülnara V. Khrustalev, Victor N. Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene |
title | Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene |
title_full | Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene |
title_fullStr | Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene |
title_short | Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene |
title_sort | crystal structure and hirshfeld surface analysis of a new polymorph of (e)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361372/ https://www.ncbi.nlm.nih.gov/pubmed/35974833 http://dx.doi.org/10.1107/S2056989022007113 |
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