Tran Buu, Dang, Duong Ba, Vu, Khoi Nguyen Hoang, Minh, Vu Quoc, Trung, Duong Khanh, Linh, Oanh Doan Thi, Yen and Van Meervelt, Luc 
ORCID: 0000-0003-2186-5209
(2019)
Synthesis and redetermination of the crystal structure of salicyl-aldehyde <i>N</i>(4)-morpholino-thio-semi-carbazone.
Acta crystallographica. Section E, Crystallographic communications, 75 (Pt 9).
pp. 1389-1393.
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Synthesis and redetermination of the crystal structure of salicyl-aldehyde N(4)-morpholino-thio-semi-carbazone.pdf - Published version Download (932kB) | Preview |
Abstract
The structure of the title compound (systematic name: <i>N</i>-{[(2-hy-droxy-phen-yl)methyl-idene]amino}-morpholine-4-carbo-thio-amide), C<sub>12</sub>H<sub>15</sub>N<sub>3</sub>O<sub>2</sub>S, was prev-iously determined (Koo <i>et al.</i>, 1977 ▸) using multiple-film equi-inclination Weissenberg data, but has been redetermined with higher precision to explore its conformation and the hydrogen-bonding patterns and supra-molecular inter-actions. The mol-ecular structure shows intra-molecular O-H⋯N and C-H⋯S inter-actions. The configuration of the C=N bond is <i>E</i>. The mol-ecule is slightly twisted about the central N-N bond. The best planes through the phenyl ring and the morpholino ring make an angle of 43.44 (17)°. In the crystal, the mol-ecules are connected into chains by N-H⋯O and C-H⋯O hydrogen bonds, which combine to generate sheets lying parallel to (002). The most prominent contribution to the surface contacts are H⋯H contacts (51.6%), as concluded from a Hirshfeld surface analysis.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Hirshfeld analysis, crystal structure, hydrogen bonding, thiosemicarbazone |
| Depositing User: | Symplectic Admin |
| Date Deposited: | 22 Nov 2019 09:03 |
| Last Modified: | 19 Jan 2023 00:19 |
| DOI: | 10.1107/s2056989019011812 |
| Open Access URL: | https://doi.org/10.1107/S2056989019011812 |
| Related URLs: | |
| URI: | https://livrepository.liverpool.ac.uk/id/eprint/3063022 |
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