Structural and computational analysis of published neutron diffraction data show that crystalline vitamin B12 coenzyme contains a strong intramolecular N-H...Ph hydrogen bond
- 1 February 1998
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta crystallographica Section B, Structural science, crystal engineering and materials
- Vol. 54 (1) , 94-96
- https://doi.org/10.1107/s0108768197010264
Abstract
The neutron diffraction crystal structure of vitamin B12 coenzyme [Bouquiere et al. (1993). Acta Cryst. B49, 79–89] contains a yet unnoticed intramolecular aromatic hydrogen bond donated by a propionamide side chain and accepted by the benzimidazole group. The distance from the H-atom to the aromatic midpoint is only 2.58 Å and the bond energy is calculated to be 16.7 kJ mol−1.Keywords
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