Role of sp-C-H-N hydrogen bonding in crystal engineering

Abstract

Evidence supporting the central role of alkynyl sp-C-H-N hydrogen bonds in the formation of discrete molecular complexes as well as one-and two-dimensional bimolecular sp-C-H-N hydrogen bonded networks is presented. The crystal structures of seven bimolecular complexes formed between nitrogen-containing aromatics and compounds containing terminal alkynes are reported. The average N-H distance in these structures is 2.35 Å, well below the sum of the van der Waals radii of 2.80 Å, and the average N-H-C bond angle is 173.2°.

Department(s)

Chemistry and Biochemistry

Document Type

Article

DOI

https://doi.org/10.1021/cg100707y

Publication Date

8-4-2010

Journal Title

Crystal Growth and Design

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