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Crystal structure ofN-[(4-ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
- Source :
- Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 11, Pp o820-o821 (2015)
- Publication Year :
- 2015
- Publisher :
- International Union of Crystallography (IUCr), 2015.
-
Abstract
- The asymmetric unit of the title compound, C16H22N2O2S, contains two crystallographically independent molecules (AandB). In moleculeA, the cyclohexane ring is disordered over two orientations [occupancy ratio 0.841 (10):0.159 (10)]. In each molecule, the central carbonyl thiourea unit is nearly planar (r.m.s. deviations for all non-H atoms of 0.034 Å in moleculeAand 0.094 Å in moleculeB). In both molecules, the cyclohexane ring adopts a chair conformation. The mean plane of the cyclohexane ring makes dihedral angles of 35.8 (4) (moleculeA) and 20.7 (3)° (moleculeB) with that of the benzene ring. Each molecule features an intramolecular N—H...O hydrogen bond, which closes anS(6) ring motif. In the crystal, molecules are linkedviapairs of weak N—H...S interactions, forming inversion dimers with anR22(8) ring motif for both molecules. The crystal structure also features weak C—H...π ring interactions.
- Subjects :
- anticorrosion properties
medicine.drug_class
Chemistry
Hydrogen bond
Stereochemistry
Cyclohexane conformation
Thio
Carboxamide
General Chemistry
Crystal structure
Dihedral angle
Condensed Matter Physics
Ring (chemistry)
lcsh:Chemistry
C—H...π interactions
crystals structure
lcsh:QD1-999
thiourea derivatives
medicine
cyclohexanecarboxamide
General Materials Science
Unit (ring theory)
biological properties
Subjects
Details
- ISSN :
- 20569890
- Volume :
- 71
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section E Crystallographic Communications
- Accession number :
- edsair.doi.dedup.....fea07b753f3341f6590c978797b20097
- Full Text :
- https://doi.org/10.1107/s205698901501806x