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Open Access Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate

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In the title molecular salt, C9H12NO4+·Br−·C9H11NO4, one of the dopa molecules is in the cationic form in which the α-amino group is protonated and the α-carboxylic acid group is uncharged, while the second dopa molecule is in the zwitterion form. The Br− anion occupies a special position and is located on a twofold rotation axis. The two dopa molecules are interconnected by short O—H...O hydrogen bonds. In the crystal, the various units are linked by O—H...O, N—H...Br and N—H...O hydrogen bonds, forming a three-dimensional framework. The title compound was refined as an inversion twin with an absolute structure parameter of 0.023 (8).
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Document Type: Research Article

Affiliations: 1: Crystal Growth Laboratory, PG and Research Department of Physics, Periyar EVR Government College (Autonomous), Tiruchirappalli 620 023, India 2: Laboratorio de Polímeros, Centro de Química Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla (BUAP), Complejo de Ciencias, ICUAP, Edif. 103H, 22 Sur y San Claudio, C.P. 72570 Puebla, Puebla, Mexico 3: Crystal Growth and Thin Film Laboratory, Department of Physics and Nanotechnology, SRM University, Kattankulathur 603 203, India 4: Biomolecular Crystallography Laboratory, Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613 401, India

Publication date: January 1, 2016

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