Chemistry Letters
Online ISSN : 1348-0715
Print ISSN : 0366-7022
Hydrogen Bond between Water and the Phenyl Ring in the Structure of a Dipeptide H–Phe–Leu–NH2 at 90 K and the Structure-based Energy Estimations
Mitsunobu DoiAkiko AsanoDaisuke Yamamoto
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Volume 32 (2003) Issue 12 Pages 1102-1103

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Abstract

A water molecule forms a hydrogen bond with the aromatic π-electron system within the crystal structure of H–Phe–Leu–NH2 hydrochloride monosolvate. This water molecule located above the phenyl ring plane, 3.119 Å from the centroid of the ring. Ab initio energy calculations revealed the stabilization energy of the phenyl ring–water hydrogen bond to be 3.26 kcal/mol.

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© 2003 The Chemical Society of Japan
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