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4-(Dimethylamino)benzohydrazide

Authors :
Steven P. Kelley
Valeri V. Mossine
Thomas P. Mawhinney
Source :
IUCrData, Vol 5, Iss 10, p x201310 (2020)
Publication Year :
2020
Publisher :
International Union of Crystallography, 2020.

Abstract

The title compound, C9H13N3O, crystallizes in the monoclinic space group C2/c and all non-hydrogen atoms are within 0.1 Å of the molecular mean plane. In the crystal, the hydrogen-bonding pattern results in [001] chains built up from fused R22(6) and R22(10) rings; the former consists of N—H...N bonds and the latter N—H...O bonds. Electrostatic and dispersion forces are major contributors to the lattice energy, which was estimated by DFT calculations to be −215.7 kJ mol−1.

Details

Language :
English
ISSN :
24143146
Volume :
5
Issue :
10
Database :
Directory of Open Access Journals
Journal :
IUCrData
Publication Type :
Academic Journal
Accession number :
edsdoj.5565aa441b7741379d00c18e19ebaa98
Document Type :
article
Full Text :
https://doi.org/10.1107/S2414314620013103