期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1049, 期 -, 页码 90-98出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2013.06.031
关键词
9-Aminoacridinium; 2,4-Dinitrobenzoic acid; Polymorphism; Crystal structure; Hydrogen bonds; Interactions involving nitro groups
资金
- State Funds for Scientific Research through the National Science Centre in Poland [2011/01/D/ST4/04943, UMO-2011/01/D/ST4/04943]
We report on the crystal structures of three polymorphs of 9-aminoacridinium 2,4-dinitrobenzoate center dot 2,4-dinitrobenzoic acid (I, II and III). Single-crystal X-ray diffraction measurements show that the title compound forms three polymorphs with the space groups P2(1)/n (I) and P (1) over bar (II and III). The asymmetric units of all the polymorphs consist of 9-aminoacridinium cation, the 2,4-dinitrobenzoate anion and the 2,4-dinitrobenzoic acid molecule. The neutral and ionic forms of 2,4-dinitrobenzoic acid are linked via O-H center dot center dot center dot O hydrogen bonds with a D graph-set motif, forming monoanionic dimers. The amine and carboxylic acid moieties are linked via N-H center dot center dot center dot O, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds. The acridinium skeletons in the crystal packing form it-stacked columns, whereas the monoanionic dimers of 2,4-dinitrobenzoic acid are linked by different types of intermolecular interactions, especially those involving nitro groups. To the best of our knowledge, the crystal structure of 9-aminoacridinium 2,4-dinitrobenzoate center dot 2,4-dinitrobenzoic acid is the first in which the appearance of monoanionic dimers of 2,4-dinitrobenzoic acid has been documented. (c) 2013 Elsevier B.V. All rights reserved.
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