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aci ‐Nitrodiphenylmethane: A Hydrogen‐Bonded Dimer
Author(s) -
Bock Hans,
Dienelt Rüdiger,
Schödel Holger,
Havlas Zdenek,
Herdtweck Eberhardt,
Herrmann Wolfgang A.
Publication year - 1993
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199317581
Subject(s) - dimer , nitromethane , hydrogen bond , ring (chemistry) , crystallography , chemistry , hydrogen , salt (chemistry) , materials science , molecule , organic chemistry
The first structurally characterized aci ‐nitromethane , the title compound, was obtained by acidifying its sodium salt. It crystallized as the hydrogen‐bonded dimer 1 . The eight‐membered ring that includes the H bonds has a chair conformation. According to quantum mechanical calculations, the cooperative effect on the formation of the H‐bonded dimer is 40%.