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4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate
In the title compound, C(17)H(11)Br(3)N(2)O(3), the whole molecule is disordered over two positions with a refined occupancy ratio of 0.770 (5):0.230 (5). In the major component, the 1,2,3-oxadiazolidine ring is essentially planar [maximum deviation = 0.017 (6) Å] and makes dihedral angles of 22.5...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009087/ https://www.ncbi.nlm.nih.gov/pubmed/21589008 http://dx.doi.org/10.1107/S1600536810040493 |
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author | Fun, Hoong-Kun Shahani, Tara Nithinchandra, Kalluraya, Balakrishna |
author_facet | Fun, Hoong-Kun Shahani, Tara Nithinchandra, Kalluraya, Balakrishna |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title compound, C(17)H(11)Br(3)N(2)O(3), the whole molecule is disordered over two positions with a refined occupancy ratio of 0.770 (5):0.230 (5). In the major component, the 1,2,3-oxadiazolidine ring is essentially planar [maximum deviation = 0.017 (6) Å] and makes dihedral angles of 22.5 (3) and 70.2 (3)° with the 4-bromophenyl and phenyl rings, respectively. In the minor component, the corresponding values are 18.9 (11) and 84.9 (12)°. In the crystal, intermolecular C—H⋯Br hydrogen bonds link the molecules into ribbons along [010]. There is a short O⋯N contact [2.83 (3) Å] in the minor component. In the major component, the molecular structure is stabilized by an intramolecular C—H⋯O hydrogen bond, which forms an S(6) ring motif. |
format | Text |
id | pubmed-3009087 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30090872010-12-30 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate Fun, Hoong-Kun Shahani, Tara Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(11)Br(3)N(2)O(3), the whole molecule is disordered over two positions with a refined occupancy ratio of 0.770 (5):0.230 (5). In the major component, the 1,2,3-oxadiazolidine ring is essentially planar [maximum deviation = 0.017 (6) Å] and makes dihedral angles of 22.5 (3) and 70.2 (3)° with the 4-bromophenyl and phenyl rings, respectively. In the minor component, the corresponding values are 18.9 (11) and 84.9 (12)°. In the crystal, intermolecular C—H⋯Br hydrogen bonds link the molecules into ribbons along [010]. There is a short O⋯N contact [2.83 (3) Å] in the minor component. In the major component, the molecular structure is stabilized by an intramolecular C—H⋯O hydrogen bond, which forms an S(6) ring motif. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3009087/ /pubmed/21589008 http://dx.doi.org/10.1107/S1600536810040493 Text en © Fun et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Fun, Hoong-Kun Shahani, Tara Nithinchandra, Kalluraya, Balakrishna 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate |
title | 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate |
title_full | 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate |
title_fullStr | 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate |
title_full_unstemmed | 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate |
title_short | 4-[2,3-Dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate |
title_sort | 4-[2,3-dibromo-3-(4-bromophenyl)propanoyl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009087/ https://www.ncbi.nlm.nih.gov/pubmed/21589008 http://dx.doi.org/10.1107/S1600536810040493 |
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