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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...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Shahani, Tara, Nithinchandra, Kalluraya, Balakrishna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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