2023
DOI: 10.1107/s2052520622011623
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Competition of interactions and a new high-temperature phase of selenourea

Abstract: The aggregation of molecules is usually associated with a specific type of interaction, which can be altered by thermodynamic conditions. Under normal conditions, the crystal structure of selenourea, SeC(NH2)2, phase α is trigonal, space group P31, Z = 27. Its large number of independent molecules (Z α′ = 9) can be associated with the formation of an NH...N hydrogen bond substituting one of 36 independent NH...Se hydrogen bonds, which prevail among intermolecular interactions. Phase α approxi… Show more

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