1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea
In the title compound, C16H12N2OS2, the dihedral angles between the mean planes of the central thiourea core and the thiophene ring and the naphthalene ring system are 1.8 (2) and 6.45 (18)°, respectively. The molecule adopts a trans–cis conformation with respect to the position of thiophenoyl a...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470236/ |
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pubmed-34702362012-11-02 1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea Singh, Durga P. Pratap, Seema Gupta, Sushil K. Butcher, Ray J. Organic Papers In the title compound, C16H12N2OS2, the dihedral angles between the mean planes of the central thiourea core and the thiophene ring and the naphthalene ring system are 1.8 (2) and 6.45 (18)°, respectively. The molecule adopts a trans–cis conformation with respect to the position of thiophenoyl and naphthyl groups relative to the S atom across the thiourea C—N bonds. Both the thiophene ring and the sulfanylidene S atom are disordered over two sets of sites with occupancies of 0.862 (3):0.138 (3) and 0.977 (3):0.023 (3), respectively. An intramolecular N—H⋯O hydrogen bond is observed. The crystal packing features two N—H⋯S hydrogen bonds. International Union of Crystallography 2012-09-08 /pmc/articles/PMC3470236/ /pubmed/23125680 http://dx.doi.org/10.1107/S1600536812035350 Text en © Singh et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Singh, Durga P. Pratap, Seema Gupta, Sushil K. Butcher, Ray J. |
| spellingShingle |
Singh, Durga P. Pratap, Seema Gupta, Sushil K. Butcher, Ray J. 1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea |
| author_facet |
Singh, Durga P. Pratap, Seema Gupta, Sushil K. Butcher, Ray J. |
| author_sort |
Singh, Durga P. |
| title |
1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea |
| title_short |
1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea |
| title_full |
1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea |
| title_fullStr |
1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea |
| title_full_unstemmed |
1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea |
| title_sort |
1-(naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea |
| description |
In the title compound, C16H12N2OS2, the dihedral angles between the mean planes of the central thiourea core and the thiophene ring and the naphthalene ring system are 1.8 (2) and 6.45 (18)°, respectively. The molecule adopts a trans–cis conformation with respect to the position of thiophenoyl and naphthyl groups relative to the S atom across the thiourea C—N bonds. Both the thiophene ring and the sulfanylidene S atom are disordered over two sets of sites with occupancies of 0.862 (3):0.138 (3) and 0.977 (3):0.023 (3), respectively. An intramolecular N—H⋯O hydrogen bond is observed. The crystal packing features two N—H⋯S hydrogen bonds. |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470236/ |
| _version_ |
1611915835573534720 |