Hydrogen-Bonding Interactions in Crystalline Solids of Cyclic Thioureas

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• 作者：Mary T. McBride ; Tzy-Jiun M. Luo ; and G. Tayhas R. Palmore
• 刊名：Crystal Growth & Design
• 出版年：2001
• 出版时间：January 2001
• 年：2001
• 卷：1
• 期：1
• 页码：39 - 46
• 全文大小：178K
• 年卷期：v.1,no.1(January 2001)
• ISSN：1528-7505

文摘

The crystal structures of three cyclic thioureas (4,5-disubstituted benzimidazolene-2-thiones) arereported. Each compound forms a tape motif in the solid state. Two of the three compounds assemble into tapes viaN-H- - -S hydrogen bonds. These tapes pack into planar sheets. The third compound assembles into tapes viaC-H- - -Br hydrogen bonds. These tapes pack at angles relative to each other, generating puckered sheets. Thepatterns of packing of these three cyclic thioureas are compared to those observed in the crystalline solids of cyclicureas that have analogous molecular structures. The patterns of packing adopted by cyclic thioureas are rationalizedin terms of molecular structure, solvent of crystallization, and energies and efficiencies of packing.