Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate

Smith, Graham (2012) Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate. Acta Crystallographica Section E: Structure Reports Online, 68(12), o3276-o3276.

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In the structure of the title compound C17H16Br2O3, which is a restricted commercial acaricide (common name bromopropylate), has two independent and conformationally similar molecules in the asymmetric unit [dihedral angle between the planes of the two phenyl rings in each, 68.7(4) and 77.4(5)deg]. The C-atoms of the isopropyl group of one of the molecules are disordered over two sites with occupancies of 0.638 and 0.362. Minor non-merohedral twinning was also present in the crystal. Intermolecular hydrogen-bonding interactions involving the hydroxy groups and carboxyl O-atom acceptors give separate centrosymmetric homodimers through cyclic hydrogen-bonding motifs [graph set R2/2(10)].

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ID Code: 54574
Item Type: Journal Article
Refereed: Yes
Keywords: crystal structure, bromopropylate, acaricide, hydrogen bonding
DOI: 10.1107/S1600536812044571
ISSN: 1600-5368
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2012 Blackwell Munksgaard
Deposited On: 05 Nov 2012 01:10
Last Modified: 05 Nov 2012 23:44

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