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A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine
The asymmetric unit of the title compound, C(18)H(21)N(3)S, contains five molecules. The equivalent bond distances in the five molecules are in excellent agreement, the r.m.s. fit being within 0.007 Å. The five molecules are linked into a chain consisting of alternating pseudo-enantiomers by N—H...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099880/ https://www.ncbi.nlm.nih.gov/pubmed/21754226 http://dx.doi.org/10.1107/S1600536811010464 |
| _version_ | 1782204106822123520 |
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| author | Schröder, Bernd Gomes, Ligia R. Santos, Luís M. N. B. F. Brandão, Paula Low, John Nicolson |
| author_facet | Schröder, Bernd Gomes, Ligia R. Santos, Luís M. N. B. F. Brandão, Paula Low, John Nicolson |
| author_sort | Schröder, Bernd |
| collection | PubMed |
| description | The asymmetric unit of the title compound, C(18)H(21)N(3)S, contains five molecules. The equivalent bond distances in the five molecules are in excellent agreement, the r.m.s. fit being within 0.007 Å. The five molecules are linked into a chain consisting of alternating pseudo-enantiomers by N—H⋯S hydrogen bonds supplemented by weak C—H⋯π interactions. The action of a glide plane links the asymmetric unit into an extended chain. A polymorph of the title compound with one molecule in the asymmetric unit was reported by Braun et al. [Cryst. Res. Technol. (1988), 23, 35–39]. |
| format | Text |
| id | pubmed-3099880 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30998802011-07-13 A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine Schröder, Bernd Gomes, Ligia R. Santos, Luís M. N. B. F. Brandão, Paula Low, John Nicolson Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(21)N(3)S, contains five molecules. The equivalent bond distances in the five molecules are in excellent agreement, the r.m.s. fit being within 0.007 Å. The five molecules are linked into a chain consisting of alternating pseudo-enantiomers by N—H⋯S hydrogen bonds supplemented by weak C—H⋯π interactions. The action of a glide plane links the asymmetric unit into an extended chain. A polymorph of the title compound with one molecule in the asymmetric unit was reported by Braun et al. [Cryst. Res. Technol. (1988), 23, 35–39]. International Union of Crystallography 2011-03-26 /pmc/articles/PMC3099880/ /pubmed/21754226 http://dx.doi.org/10.1107/S1600536811010464 Text en © Schröder et al. 2011 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. |
| spellingShingle | Organic Papers Schröder, Bernd Gomes, Ligia R. Santos, Luís M. N. B. F. Brandão, Paula Low, John Nicolson A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine |
| title | A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine |
| title_full | A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine |
| title_fullStr | A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine |
| title_full_unstemmed | A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine |
| title_short | A second monoclinic polymorph of N-(diethylaminothiocarbonyl)-N′-phenylbenzamidine |
| title_sort | second monoclinic polymorph of n-(diethylaminothiocarbonyl)-n′-phenylbenzamidine |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099880/ https://www.ncbi.nlm.nih.gov/pubmed/21754226 http://dx.doi.org/10.1107/S1600536811010464 |
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