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Crystal structures and vibrational spectra of biuret co-crystals with cyanuric and glutaric acids, discussion of hydrogen bonding involving carbonyl groups
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SYSNO ASEP 0463037 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Crystal structures and vibrational spectra of biuret co-crystals with cyanuric and glutaric acids, discussion of hydrogen bonding involving carbonyl groups Author(s) Matulková, I. (CZ)
Mathauserová, J. (CZ)
Císařová, I. (CZ)
Němec, I. (CZ)
Fábry, Jan (FZU-D) RID, ORCID, SAISource Title Zeitschrift fur Kristallographie-Crystalline Materials. - : Walter de Gruyter - ISSN 2194-4946
Roč. 231, č. 5 (2016), s. 291-300Number of pages 10 s. Language eng - English Country DE - Germany Keywords biuret ; crystal structure analysis ; hydrogen bonding ; vibrational spectroscopy ; X-ray diffraction Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA14-05506S GA ČR - Czech Science Foundation (CSF) Institutional support FZU-D - RVO:68378271 UT WOS 000375211000006 EID SCOPUS 84969672736 DOI 10.1515/zkri-2015-1901 Annotation The title structures of biuret-cyanuric acid (2/2) monohydrate, C10H18N12O11, 1 , and of biuretglutaric acid (1/1), C7H13N3O6, 2, show usual features both in constitution and intermolecular contacts except for a slightly longer C = O bond length in one of the carbonyl groups in 2. The influence of the hydrogen bonding on the bond length of the carbonyl group C = O in the fragment NH2 -(C = O)-NH with amine and hydroxyl donors has also been investigated. It transpires that the C = O…H angle of about 120° favors a slight elongation of the C = O bond length. The elongation of the C = O bond is more susceptible to the relative orientation of the C = O group with regard to amine over hydroxyl groups. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2017
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