Issue 7, 1995

Weak hydrogen bonding. Part 1. Neutron diffraction data of amino acid Cα–H suggest lengthening of the covalent C–H bond in C–H ⋯ O interactions

Abstract

In C–H ⋯ O contacts observed in 16 high-precision neutron crystal-structure determinations of α-amino acids, there is good evidence for a correlation between the covalent bond length of Cα–H and the Hα⋯ O separation. For the shortest H ⋯ O contacts, ∼2.3 Å, the lengthening of C–H is 0.008 Å compared with the longest contacts of ∼2.7 Å. This supports the view that C–H ⋯ O interactions have the nature of hydrogen bonds. The experimental results are in excellent agreement with calculations from the valence model of the hydrogen bond.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1995, 1315-1319

Weak hydrogen bonding. Part 1. Neutron diffraction data of amino acid Cα–H suggest lengthening of the covalent C–H bond in C–H ⋯ O interactions

T. Steiner, J. Chem. Soc., Perkin Trans. 2, 1995, 1315 DOI: 10.1039/P29950001315

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