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4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone
In the crystal, C(20)H(15)N(7)O(6)S, the dihedral angle between the oxadiazole and triazine rings is 86.94 (7)°. The oxadiazole ring makes a dihedral angle of 52.96 (8)° with the phenyl ring, while the triazine ring makes a dihedral angle of 82.08 (7)° with the benzene ring. In the structure, molec...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089265/ https://www.ncbi.nlm.nih.gov/pubmed/21754498 http://dx.doi.org/10.1107/S1600536811014504 |
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author | Fun, Hoong-Kun Rosli, Mohd Mustaqim Nithinchandra, Kalluraya, Balakrishna |
author_facet | Fun, Hoong-Kun Rosli, Mohd Mustaqim Nithinchandra, Kalluraya, Balakrishna |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the crystal, C(20)H(15)N(7)O(6)S, the dihedral angle between the oxadiazole and triazine rings is 86.94 (7)°. The oxadiazole ring makes a dihedral angle of 52.96 (8)° with the phenyl ring, while the triazine ring makes a dihedral angle of 82.08 (7)° with the benzene ring. In the structure, molecules are linked by a pair of N—H⋯O hydrogen bonds, forming an inversion dimer. The dimers are further stacked along the a axis via N—H⋯N hydrogen bonds. Weak intermolecular C—H⋯O interactions are also observed. |
format | Text |
id | pubmed-3089265 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30892652011-07-13 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone Fun, Hoong-Kun Rosli, Mohd Mustaqim Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal, C(20)H(15)N(7)O(6)S, the dihedral angle between the oxadiazole and triazine rings is 86.94 (7)°. The oxadiazole ring makes a dihedral angle of 52.96 (8)° with the phenyl ring, while the triazine ring makes a dihedral angle of 82.08 (7)° with the benzene ring. In the structure, molecules are linked by a pair of N—H⋯O hydrogen bonds, forming an inversion dimer. The dimers are further stacked along the a axis via N—H⋯N hydrogen bonds. Weak intermolecular C—H⋯O interactions are also observed. International Union of Crystallography 2011-04-22 /pmc/articles/PMC3089265/ /pubmed/21754498 http://dx.doi.org/10.1107/S1600536811014504 Text en © Fun 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 Fun, Hoong-Kun Rosli, Mohd Mustaqim Nithinchandra, Kalluraya, Balakrishna 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone |
title | 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone |
title_full | 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone |
title_fullStr | 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone |
title_full_unstemmed | 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone |
title_short | 4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone |
title_sort | 4-(2-{[4-amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089265/ https://www.ncbi.nlm.nih.gov/pubmed/21754498 http://dx.doi.org/10.1107/S1600536811014504 |
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