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Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
The title compound, C(17)H(16)Br(2)O(3), which is a restricted commercial acaricide (common name bromopropylate), has two independent and conformationally similar molecules in the asymmetric unit [dihedral angles between the planes of the two phenyl rings = 68.7 (4) and 77.4 (5)°]. The C atoms of...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588824/ https://www.ncbi.nlm.nih.gov/pubmed/23468789 http://dx.doi.org/10.1107/S1600536812044571 |
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author | Smith, Graham |
author_facet | Smith, Graham |
author_sort | Smith, Graham |
collection | PubMed |
description | The title compound, C(17)H(16)Br(2)O(3), which is a restricted commercial acaricide (common name bromopropylate), has two independent and conformationally similar molecules in the asymmetric unit [dihedral angles between the planes of the two phenyl rings = 68.7 (4) and 77.4 (5)°]. The C atoms of the isopropyl group of one of the molecules are disordered over two sites with occupancies of 0.638 (16) and 0.362 (16). Minor non-merohedral twinning was also present in the crystal. Intermolecular O—H⋯O hydrogen-bonding interactions involving the hydroxy groups and carboxyl O-atom acceptors give separate centrosymmetric homodimers through cyclic hydrogen-bonding motifs [graph set R (2) (2)(10)]. |
format | Online Article Text |
id | pubmed-3588824 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35888242013-03-06 Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate Smith, Graham Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(17)H(16)Br(2)O(3), which is a restricted commercial acaricide (common name bromopropylate), has two independent and conformationally similar molecules in the asymmetric unit [dihedral angles between the planes of the two phenyl rings = 68.7 (4) and 77.4 (5)°]. The C atoms of the isopropyl group of one of the molecules are disordered over two sites with occupancies of 0.638 (16) and 0.362 (16). Minor non-merohedral twinning was also present in the crystal. Intermolecular O—H⋯O hydrogen-bonding interactions involving the hydroxy groups and carboxyl O-atom acceptors give separate centrosymmetric homodimers through cyclic hydrogen-bonding motifs [graph set R (2) (2)(10)]. International Union of Crystallography 2012-11-03 /pmc/articles/PMC3588824/ /pubmed/23468789 http://dx.doi.org/10.1107/S1600536812044571 Text en © Graham Smith 2012 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 Smith, Graham Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate |
title | Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate |
title_full | Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate |
title_fullStr | Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate |
title_full_unstemmed | Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate |
title_short | Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate |
title_sort | isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588824/ https://www.ncbi.nlm.nih.gov/pubmed/23468789 http://dx.doi.org/10.1107/S1600536812044571 |
work_keys_str_mv | AT smithgraham isopropyl22bis4bromophenyl2hydroxyacetate |