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. © 2012 International Union of Crystallography

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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

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PMID: 22223282

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