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Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2'E)-2,2'-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate.

Authors :
Guseinov, Firudin I.
Knyazev, Aleksandr V.
Shuvalova, Elena V.
Kobrakov, Konstantin I.
Samigullina, Aida I.
Atioğlu, Zeliha
Akkurt, Mehmet
Bhattarai, Ajaya
Source :
Acta Crystallographica Section E: Crystallographic Communications; Oct2023, Vol. 79 Issue 10, p910-915, 12p
Publication Year :
2023

Abstract

The overall molecular configuration of the title compound, C<subscript>12</subscript>H<subscript>16</subscript>N<subscript>6</subscript>OS<subscript>2</subscript>•C<subscript>3</subscript>H<subscript>7</subscript>NO, is stabilized in the solid state by intramolecular C--H• • •N, C--H• • •O, N--H• • •N and N--H• • •O interactions, forming S(5) ring motifs. In the crystal, molecules are linked to each other and solvent dimethylformamide molecules by N--H• • •S, N--H• • •O, C--H• • •O and C--H• • •S hydrogen bonds, forming a three dimensional network. The phenyl ring of the title compound is disordered over two sites with an occupancy ratio of 0.57 (4):0.43 (4). A Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions, indicating that the most important contributions to the crystal packing are from H• • •H (38.7%), S• • •H / H• • •S (24.0%), C• • •H / H• • •C (18.5%) and N• • •H / H• • •N (9.8%) interactions. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
79
Issue :
10
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
172884478
Full Text :
https://doi.org/10.1107/S2056989023007946