期刊
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
卷 67, 期 -, 页码 144-154出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0108768111002412
关键词
barbituric acid; urea; addition compounds; polymorphism; charge-density analysis
资金
- Polish Ministry of Science and Higher Education [N N204 316537]
High-resolution single-crystal X-ray diffraction measurements at 100 K were performed for the two polymorphs of urea-barbituric acid co-crystals: (I) P2(1)/c and (II) Cc. Experimental and theoretical charge density and its properties were analysed for (I) and (II) in order to confirm the previous observation that in the polymorphs studied the barbituric acid molecules adopt different mesomeric forms, leading to different hydrogen-bond systems. Koch and Popelier criteria were applied to distinguish between hydrogen bonds and van der Waals interactions in the structures presented.
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