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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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Detalles Bibliográficos
Autor principal: Smith, Graham
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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
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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)].
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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
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