p-Phenylenedimethylene bis(N-phenylcarbamate)
✍ Scribed by Yan, Liqun ;Wu, Li ;Shi, Xuefang ;Zhang, Wenqin
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 127 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.062 wR factor = 0.195 Data-to-parameter ratio = 10.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The central CNC( S)O entity in MeOC( S)N(H)Ph, C 8 H 9 NOS, is effectively planar and shows that the molecule exists as a thione. In the crystal structure, molecules related by a centre of symmetry are associated via NÐHÁ Á ÁS interactions, forming thioamide dimers.
The title compound, C 11 H 15 NOS, was prepared by the reaction of phenyl isothiocyanate with isobutyl alcohol at room temperature. The central CNC( S)O group is essentially planar. In the crystal structure, the molecules are connected via N-HÁ Á ÁS interactions.
NMR spectra of p and rn-substituted phenyl N-methylcarbamates, phenyl Nfl-dimethylcarbamates and p and m-suhstituted phenyl propionates were recorded, and their para -C SCS (substituent chemical shW) were analysed by DSP (dual substituent parameters) and DSP-NLR (non-linear resonance) equations. It