Title of article :
Crystal structure and Hirshfeld surface analysis of a new di­thio­glycoluril: 1,4-bis­­(4-meth­­oxy­phen­yl)-3a-methyl­tetra­hydro­imidazo[4,5-d]imidazole-2,5(1H,3H)-di­thione
Author/Authors :
Asegbeloyin, Jonnie N. Department of Pure and Industrial Chemistry - University of Nigeria, Nigeria , Ifeanyieze, Kenechukwu J. Department of Pure and Industrial Chemistry - University of Nigeria, Nigeria , Okpareke, Obinna C. Department of Pure and Industrial Chemistry - University of Nigeria, Nigeria , Oyeka, Ebube E. Department of Pure and Industrial Chemistry - University of Nigeria, Nigeria , Groutso, Tatiana V. School of Chemical Sciences - he University of Auckland Private Bag 92019, New Zealand
Pages :
9
From page :
1
To page :
9
Abstract :
In the title di­thio­glycoluril derivative, C19H20N4O3S2, there is a difference in the torsion angles between the thio­imidazole moiety and the meth­oxy­phenyl groups on either side of the mol­ecule [C—N—Car—Car = 116.9 (2) and −86.1 (3)°, respectively]. The N—C—N bond angle on one side of the di­thio­glycoluril moiety is slightly smaller compared to that on the opposite side, [110.9 (2)° cf. 112.0 (2)°], probably as a result of the steric effect of the methyl group. In the crystal, N—H⋯S hydrogen bonds link adjacent mol­ecules to form chains propagating along the c-axis direction. The chains are linked by C—H⋯S hydrogen bonds, forming layers parallel to the bc plane. The layers are then linked by C—H⋯π inter­actions, leading to the formation of a three-dimensional supra­molecular network. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the mol­ecular inter­actions in the crystal.
Keywords :
crystal structure , thio­glycoluril , imidazole , cinnamoyl chloride , iso­thio­cyanate , N—H⋯S hydrogen bonding , C—H⋯π inter­actions
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2625297
Link To Document :
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