期刊
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
卷 72, 期 -, 页码 1544-+出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989016015425
关键词
crystal structure; dopa; cyclic N-H center dot center dot center dot Br hydrogen bonds; hydrogen bonding; Hirshfeld surfaces
资金
- Council of Scientific and Industrial Research (CSIR), India [03 (1314)/14/EMR-II]
- SASTRA University
- DST-SERB [SB/YS/LS-19/2014]
In the title molecular salt, C9H12NO4+-Br-center dot C9H11NO4, one of the dopa molecules is in the cationic form in which the a-amino group is protonated and the a-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 center dot center dot center dot O hydrogen bonds. In the crystal, the various units are linked by O-H center dot center dot center dot O, N-H center dot center dot center dot Br and N-H center dot center dot center dot 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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