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Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
3,5-Di-bromo-4-carbamoyl-benzoic acid 2-propanol monosolvate
Wayland E Noland1, Ryan J Herzig1, Renee J Fox1
1Department of Chemistry, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455, USA.
Abstract:
In the title solvated crystal, C8H5Br2NO3·C3H8O, the acid mol-ecules form inversion dimers by pairwise N-H⋯O hydrogen bonds between carbamoyl groups and the carboxyl and carbamoyl groups link to form head-to-tail inversion dimers. The 2-propanol hydroxyl group inter-poses between adjacent head-tail pairs, resulting in C 3 3(10) chains of hydrogen bonds propagating along [100]. The mol-ecules of 2-propanol are disordered over two sets of sites in a 0.598 (8):0.402 (8) ratio. The best-fit planes of the carbamoyl group and benzene ring are inclined by 88.26 (11)°. This is a greater inclination than was previously reported with CH3, Cl, F or H in place of the Br atoms, although those analogues did not have a para carboxyl group.
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