Hiram Pérez, Rodrigo S Corrêa, Ana María Plutín, Beatriz O'Reilly, Marcelo B Andrade
Departamento de Química Inorgánica, Facultad de Química, Universidad de la Habana, Habana 10400, Cuba.
Acta crystallographica. Section C, Crystal structure communications 2012 JanIn 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. © 2012 International Union of Crystallography
Hiram Pérez, Rodrigo S Corrêa, Ana María Plutín, Beatriz O'Reilly, Marcelo B Andrade. Probing the relationships between molecular conformation and intermolecular contacts in N,N-dibenzyl-N'-(furan-2-carbonyl)thiourea. Acta crystallographica. Section C, Crystal structure communications. 2012 Jan;68(Pt 1):o19-22
PMID: 22223282
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