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(2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
The asymmetric unit of the title compound, C(21)H(20)N(4)O(3)S, contains two independent molecules. The dihedral angles between the two benzene rings are 47.6 (1) and 30.2 (1)°, the corresponding values between the p-methoxybenzene and thiadiazol rings are 12.3 (1) and 24.7 (1)°, respectively, fo...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959345/ https://www.ncbi.nlm.nih.gov/pubmed/21201099 http://dx.doi.org/10.1107/S1600536808027803 |
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author | Li, Shao-Hua Li, Gang Huang, Hui-Ming Tu, Guo-Gang Liu, Cheng-Mei |
author_facet | Li, Shao-Hua Li, Gang Huang, Hui-Ming Tu, Guo-Gang Liu, Cheng-Mei |
author_sort | Li, Shao-Hua |
collection | PubMed |
description | The asymmetric unit of the title compound, C(21)H(20)N(4)O(3)S, contains two independent molecules. The dihedral angles between the two benzene rings are 47.6 (1) and 30.2 (1)°, the corresponding values between the p-methoxybenzene and thiadiazol rings are 12.3 (1) and 24.7 (1)°, respectively, for the two molecules. The conformations of the N—H and C=O bonds are anti with respect to each other. The enone groups show a trans configuration. The crystal structure is stabilized by N—H⋯O and N—H⋯N interactions. The absolute structure could not be determined from the X-ray data but the absolute configuration has been assigned by reference to an unchanging chiral centre in the synthetic procedure. |
format | Text |
id | pubmed-2959345 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29593452010-12-30 (2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide Li, Shao-Hua Li, Gang Huang, Hui-Ming Tu, Guo-Gang Liu, Cheng-Mei Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(21)H(20)N(4)O(3)S, contains two independent molecules. The dihedral angles between the two benzene rings are 47.6 (1) and 30.2 (1)°, the corresponding values between the p-methoxybenzene and thiadiazol rings are 12.3 (1) and 24.7 (1)°, respectively, for the two molecules. The conformations of the N—H and C=O bonds are anti with respect to each other. The enone groups show a trans configuration. The crystal structure is stabilized by N—H⋯O and N—H⋯N interactions. The absolute structure could not be determined from the X-ray data but the absolute configuration has been assigned by reference to an unchanging chiral centre in the synthetic procedure. International Union of Crystallography 2008-09-06 /pmc/articles/PMC2959345/ /pubmed/21201099 http://dx.doi.org/10.1107/S1600536808027803 Text en © Li et al. 2008 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 Li, Shao-Hua Li, Gang Huang, Hui-Ming Tu, Guo-Gang Liu, Cheng-Mei (2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide |
title | (2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide |
title_full | (2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide |
title_fullStr | (2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide |
title_full_unstemmed | (2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide |
title_short | (2R)-2-Cinnamoylamino-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide |
title_sort | (2r)-2-cinnamoylamino-n-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959345/ https://www.ncbi.nlm.nih.gov/pubmed/21201099 http://dx.doi.org/10.1107/S1600536808027803 |
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