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4-(Dimethylamino)benzohydrazide
- 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