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5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime
In the title molecule, C(16)H(16)BrN(5)O(3)S, the 1,3,4-thiadiazole ring is situated under the benzene ring, forming a dihedral angle of 86.6 (2)°, and with an S⋯Cg (where Cg is the centroid of the benzene ring) distance of 3.312 (3) Å. The benzene and 1,3,4-thiadiazole rings form dihedral angles...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515227/ https://www.ncbi.nlm.nih.gov/pubmed/23284447 http://dx.doi.org/10.1107/S1600536812042274 |
| _version_ | 1782252138350510080 |
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| author | Fan, Chong-Guang Chen, Jian-Cun Dai, Hong Wei, Yun-Hua Shi, Yu-Jun |
| author_facet | Fan, Chong-Guang Chen, Jian-Cun Dai, Hong Wei, Yun-Hua Shi, Yu-Jun |
| author_sort | Fan, Chong-Guang |
| collection | PubMed |
| description | In the title molecule, C(16)H(16)BrN(5)O(3)S, the 1,3,4-thiadiazole ring is situated under the benzene ring, forming a dihedral angle of 86.6 (2)°, and with an S⋯Cg (where Cg is the centroid of the benzene ring) distance of 3.312 (3) Å. The benzene and 1,3,4-thiadiazole rings form dihedral angles of 83.8 (3) and 57.7 (2)°, respectively, with the central pyrazole ring. In the absence of classical hydrogen bonds, the crystal packing is stabilized by a C—H⋯π interaction.. |
| format | Online Article Text |
| id | pubmed-3515227 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-35152272013-01-02 5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime Fan, Chong-Guang Chen, Jian-Cun Dai, Hong Wei, Yun-Hua Shi, Yu-Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(16)H(16)BrN(5)O(3)S, the 1,3,4-thiadiazole ring is situated under the benzene ring, forming a dihedral angle of 86.6 (2)°, and with an S⋯Cg (where Cg is the centroid of the benzene ring) distance of 3.312 (3) Å. The benzene and 1,3,4-thiadiazole rings form dihedral angles of 83.8 (3) and 57.7 (2)°, respectively, with the central pyrazole ring. In the absence of classical hydrogen bonds, the crystal packing is stabilized by a C—H⋯π interaction.. International Union of Crystallography 2012-10-13 /pmc/articles/PMC3515227/ /pubmed/23284447 http://dx.doi.org/10.1107/S1600536812042274 Text en © Fan 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. |
| spellingShingle | Organic Papers Fan, Chong-Guang Chen, Jian-Cun Dai, Hong Wei, Yun-Hua Shi, Yu-Jun 5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime |
| title | 5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime |
| title_full | 5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime |
| title_fullStr | 5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime |
| title_full_unstemmed | 5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime |
| title_short | 5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime |
| title_sort | 5-(4-bromophenoxy)-1-methyl-3-methyl-1h-pyrazole-4-carbaldehyde-o-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515227/ https://www.ncbi.nlm.nih.gov/pubmed/23284447 http://dx.doi.org/10.1107/S1600536812042274 |
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