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

Matulková, Irena; Mathauserová, Jana; Cı́sařová, Ivana; Němec, Ivan; Fábry, Jan

doi:10.1515/zkri-2015-1901

Cited by 2 publications

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“…28 Additionally, biuret has been found to form cocrystals with cyanuric and glutaric acids. 29 Several possible molecular geometries have been proposed for biuret, including some that assign CN bonds (with formal charges to the oxygen) and O−H bonds. 1,5 The two most common molecular geometries are those that assign either cis or trans isomers, which minimize the formal charges.…”

Section: ■ Introductionmentioning

confidence: 99%

“…These studies include infrared and X-ray studies on biuret hydrate, , infrared spectroscopy and X-ray diffraction studies on biuret–hydrogen peroxide, infrared and visible absorption spectra of biuret–copper complexes, and computational studies. , More recently a study of four biuret-containing complexes were characterized using UV, FTIR and Raman spectroscopies, X-ray powder diffraction, and thermogravimetric analysis . Additionally, biuret has been found to form cocrystals with cyanuric and glutaric acids …”

Section: Introductionmentioning

confidence: 99%

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Hydrogen-Bonding Modification in Biuret Under Pressure

Borstad

2017

J. Phys. Chem. A

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Biuret (CHNO) has been studied to 30 GPa by Raman spectroscopy and 50 GPa by X-ray diffraction. Raman peaks exhibit shoulders and splitting that suggests that the molecules undergo reorientation in response to compression. These are observed in three pressure ranges: the first from 3-5 GPa, the second from 8-12 GPa, and finally from 16-20 GPa. The particular modes in the sample that are observed to change in the Raman are strongly linked to the molecular vibrations involving the N-H and the C═O bond, which are most strongly coupled to the hydrogen-bonded lattice structure. The X-ray diffraction suggests that the crystal maintains a monoclinic structure to the highest pressures studied. Although there was a considerable degree of hysteresis observed in some X-ray runs, all the changes observed under pressure are reversible.

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Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Hydrogen-Bonding Modification in Biuret Under Pressure

Borstad

2017

J. Phys. Chem. A

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Biuret—A Crucial Reaction Intermediate for Understanding Urea Pyrolysis To Form Carbon Nitrides: Crystal‐Structure Elucidation and In Situ Diffractometric, Vibrational and Thermal Characterisation

Groß

Höppe

2020

Chemistry A European J

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The crystal structure of biuret was elucidated by means of XRD analysiso fs ingle crystalsg rown through slow evaporation from as olution in ethanol. It crystallises in its own structure type in space group C2/c (a = 15.4135(8) , b = 6.6042(3) , c = 9.3055(4) , Z = 8). Biuret decomposition was studied in situ by means of temperature-programmed powder XRD and FTIR spectroscopy,t oi dentify ac o-crystalline biuret-cyanuric acidp hase as ap reviously unrecognised reaction intermediate. Extensive thermogravimetric studies of varying crucibleg eometry,h eatingr ate and initial sample mass reveal that the concentration of reactive gases at the interfacet ot he condensed sample residues is ac rucial parameter for the prevailing decompositionp athway.T aking these findings into consideration, as tudy on the optimisation of carbon nitride synthesis from urea on the gram scale, with standard solid-state laboratory techniques, is presented. Finally,aserendipitously encountered self-coating of the crucible inner walls by graphite during repeateds ynthetic cycles, which prove to be highly beneficial for the obtained yields,i sr eported.

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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

Abstract: The title structures of biuret-cyanuric acid (2/2) monohydrate, C

Cited by 2 publications

References 35 publications

Hydrogen-Bonding Modification in Biuret Under Pressure

Hydrogen-Bonding Modification in Biuret Under Pressure

Biuret—A Crucial Reaction Intermediate for Understanding Urea Pyrolysis To Form Carbon Nitrides: Crystal‐Structure Elucidation and In Situ Diffractometric, Vibrational and Thermal Characterisation

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