aci ‐Nitrodiphenylmethane: A Hydrogen‐Bonded Dimer | Zendy

Bock Hans | Zendy; Dienelt Rüdiger | Zendy; Schödel Holger | Zendy; Havlas Zdenek | Zendy; Herdtweck Eberhardt | Zendy; Herrmann Wolfgang A. | Zendy

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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%.

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