Probing the relationships between molecular conformation and intermolecular contacts in N,N-dibenzyl-N'-(furan-2-carbonyl)thiourea.
In the crystal structure of the title compound, C(20)H(18)N(2)O(2)S, molecules are linked by bifurcated C-H···O hydrogen-bond interactions, giving rise to chains whose links are composed of alternating centrosymmetrically disposed pairs of molecules and characterized by R(2)(2)(10) and R(2)(2)(20) hydrogen-bonding motifs. Also, N-H···S hydrogen bonds form infinite zigzag chains along the [010] direction, which exhibit the C(4) motif. Hirshfeld surface and fingerprint plots were used to explore the intermolecular interactions in the crystal structure. This analysis confirms the important role of C-H···O hydrogen bonds in the molecular conformation and in the crystal structure, providing a potentially useful tool for a full understanding of the intermolecular interactions in acylthiourea derivatives.
Departamento de Química Inorgánica, Facultad de Química, Universidad de la Habana, Habana 10400, Cuba.
Hiram
H
Pérez
Rodrigo S
RS
Corrêa
Ana María
AM
Plutín
Beatriz
B
O'Reilly
Marcelo B
MB
Andrade
D018360:Crystallography, X-Ray; D005663:Furans / Q000737:chemistry*; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D015335:Molecular Probes; D015394:Molecular Structure; D013890:Thiourea / Q000031:analogs & derivatives* / Q000737:chemistry
D005663:Furans; D015335:Molecular Probes; C570866:N,N-dibenzyl-N'-(furan-2-carbonyl)thiourea; D013890:Thiourea