Crystal structures and vibrational spectra of biuret co-crystals with cyanuric and glutaric acids, discussion of hydrogen bonding involving carbonyl groups

0463037 - FZÚ 2017 RIV DE eng J - Journal Article
Matulková, I. - Mathauserová, J. - Císařová, I. - Němec, I. - Fábry, Jan
Crystal structures and vibrational spectra of biuret co-crystals with cyanuric and glutaric acids, discussion of hydrogen bonding involving carbonyl groups.
Zeitschrift fur Kristallographie-Crystalline Materials. Roč. 231, č. 5 (2016), s. 291-300. ISSN 2194-4946. E-ISSN 2196-7105
R&D Projects: GA ČR GA14-05506S
Institutional support: RVO:68378271
Keywords : biuret * crystal structure analysis * hydrogen bonding * vibrational spectroscopy * X-ray diffraction
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.179, year: 2016

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.
Permanent Link: http://hdl.handle.net/11104/0262462