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Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide
In the title compound, C(15)H(11)F(2)N(3)O(2)S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186173/ https://www.ncbi.nlm.nih.gov/pubmed/25309250 http://dx.doi.org/10.1107/S1600536814015761 |
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author | Firdausiah, Syadza Salleh Huddin, Ameera Aqeela Hasbullah, Siti Aishah Yamin, Bohari M. Yusoff, Siti Fairus M. |
author_facet | Firdausiah, Syadza Salleh Huddin, Ameera Aqeela Hasbullah, Siti Aishah Yamin, Bohari M. Yusoff, Siti Fairus M. |
author_sort | Firdausiah, Syadza |
collection | PubMed |
description | In the title compound, C(15)H(11)F(2)N(3)O(2)S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C—N—N—C bonds [torsion angle = −138.7 (2)°] and the C(ar)—C(ar)—C—N (ar = aromatic) bonds [−132.0 (2)°]. An intramolecular N—H⋯O hydrogen bond occurs, which generates an S(6) ring. In the crystal, the molecules are linked by N—H⋯O and N—H⋯S hydrogen bonds, generating (001) sheets. Weak C—H⋯O and C—H⋯F interactions are also observed. |
format | Online Article Text |
id | pubmed-4186173 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41861732014-10-12 Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide Firdausiah, Syadza Salleh Huddin, Ameera Aqeela Hasbullah, Siti Aishah Yamin, Bohari M. Yusoff, Siti Fairus M. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(15)H(11)F(2)N(3)O(2)S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C—N—N—C bonds [torsion angle = −138.7 (2)°] and the C(ar)—C(ar)—C—N (ar = aromatic) bonds [−132.0 (2)°]. An intramolecular N—H⋯O hydrogen bond occurs, which generates an S(6) ring. In the crystal, the molecules are linked by N—H⋯O and N—H⋯S hydrogen bonds, generating (001) sheets. Weak C—H⋯O and C—H⋯F interactions are also observed. International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186173/ /pubmed/25309250 http://dx.doi.org/10.1107/S1600536814015761 Text en © Firdausiah et al. 2014 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 | Data Reports Firdausiah, Syadza Salleh Huddin, Ameera Aqeela Hasbullah, Siti Aishah Yamin, Bohari M. Yusoff, Siti Fairus M. Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide |
title | Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide |
title_full | Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide |
title_fullStr | Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide |
title_full_unstemmed | Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide |
title_short | Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide |
title_sort | crystal structure of 4-fluoro-n-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186173/ https://www.ncbi.nlm.nih.gov/pubmed/25309250 http://dx.doi.org/10.1107/S1600536814015761 |
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