Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide
In the title compound, C15H11F2N3O2S, 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...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-09-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814015761 |
| _version_ | 1818975367284654080 |
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| author | Syadza Firdausiah Ameera Aqeela Salleh Huddin Siti Aishah Hasbullah Bohari M. Yamin Siti Fairus M. Yusoff |
| author_facet | Syadza Firdausiah Ameera Aqeela Salleh Huddin Siti Aishah Hasbullah Bohari M. Yamin Siti Fairus M. Yusoff |
| author_sort | Syadza Firdausiah |
| collection | DOAJ |
| description | In the title compound, C15H11F2N3O2S, 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 Car—Car—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. |
| first_indexed | 2024-12-20T15:54:49Z |
| format | Article |
| id | doaj.art-2d04dc80ea2c4b6d8f456213041508ed |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T15:54:49Z |
| publishDate | 2014-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-2d04dc80ea2c4b6d8f456213041508ed2022-12-21T19:34:31ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-09-01709o915o91610.1107/S1600536814015761hb7245Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamideSyadza Firdausiah0Ameera Aqeela Salleh Huddin1Siti Aishah Hasbullah2Bohari M. Yamin3Siti Fairus M. Yusoff4School of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, MalaysiaSchool of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, MalaysiaSchool of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, MalaysiaSchool of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, MalaysiaSchool of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, MalaysiaIn the title compound, C15H11F2N3O2S, 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 Car—Car—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.http://scripts.iucr.org/cgi-bin/paper?S1600536814015761crystal structurehydrogen bondssemithiocarbazide |
| spellingShingle | Syadza Firdausiah Ameera Aqeela Salleh Huddin Siti Aishah Hasbullah Bohari M. Yamin Siti Fairus M. Yusoff Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide Acta Crystallographica Section E crystal structure hydrogen bonds semithiocarbazide |
| 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 | crystal structure hydrogen bonds semithiocarbazide |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814015761 |
| work_keys_str_mv | AT syadzafirdausiah crystalstructureof4fluoron24fluorobenzoylhydrazine1carbonothioylbenzamide AT ameeraaqeelasallehhuddin crystalstructureof4fluoron24fluorobenzoylhydrazine1carbonothioylbenzamide AT sitiaishahhasbullah crystalstructureof4fluoron24fluorobenzoylhydrazine1carbonothioylbenzamide AT boharimyamin crystalstructureof4fluoron24fluorobenzoylhydrazine1carbonothioylbenzamide AT sitifairusmyusoff crystalstructureof4fluoron24fluorobenzoylhydrazine1carbonothioylbenzamide |