Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate
The title compound, C16H16N2S2, was obtained from the condensation reaction of benzyl dithiocarbazate and 2-methylbenzaldehyde. The asymmetric unit contains two independent molecules. In both molecules, the methylphenyl ring and the dithiocarbazate fragment are located on opposite sides of the C=N b...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2011-09-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811033113 |
| _version_ | 1798019045641945088 |
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| author | Shang Shan Zhao Wang Yan-Lan Huang Han-Qi Guo Deng-Feng Li |
| author_facet | Shang Shan Zhao Wang Yan-Lan Huang Han-Qi Guo Deng-Feng Li |
| author_sort | Shang Shan |
| collection | DOAJ |
| description | The title compound, C16H16N2S2, was obtained from the condensation reaction of benzyl dithiocarbazate and 2-methylbenzaldehyde. The asymmetric unit contains two independent molecules. In both molecules, the methylphenyl ring and the dithiocarbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each molecule, the dithiocarbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025 Å. The mean plane of dithiocarbazate group is oriented at dihedral angles of 7.9 (3) and 68.24 (12)°, respectively, to the methylphenyl and phenyl rings in one molecule, while the corresponding angles in the other molecule are 10.9 (3) and 69.76 (16)°. Intermolecular N—H...S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules. |
| first_indexed | 2024-04-11T16:34:20Z |
| format | Article |
| id | doaj.art-fb355c9958494b75ab138c0e70275612 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:34:20Z |
| publishDate | 2011-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-fb355c9958494b75ab138c0e702756122022-12-22T04:13:55ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-09-01679o2497o249710.1107/S1600536811033113Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazateShang ShanZhao WangYan-Lan HuangHan-Qi GuoDeng-Feng LiThe title compound, C16H16N2S2, was obtained from the condensation reaction of benzyl dithiocarbazate and 2-methylbenzaldehyde. The asymmetric unit contains two independent molecules. In both molecules, the methylphenyl ring and the dithiocarbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each molecule, the dithiocarbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025 Å. The mean plane of dithiocarbazate group is oriented at dihedral angles of 7.9 (3) and 68.24 (12)°, respectively, to the methylphenyl and phenyl rings in one molecule, while the corresponding angles in the other molecule are 10.9 (3) and 69.76 (16)°. Intermolecular N—H...S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules.http://scripts.iucr.org/cgi-bin/paper?S1600536811033113 |
| spellingShingle | Shang Shan Zhao Wang Yan-Lan Huang Han-Qi Guo Deng-Feng Li Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate Acta Crystallographica Section E |
| title | Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate |
| title_full | Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate |
| title_fullStr | Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate |
| title_full_unstemmed | Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate |
| title_short | Benzyl (E)-3-(2-methylbenzylidene)dithiocarbazate |
| title_sort | benzyl e 3 2 methylbenzylidene dithiocarbazate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811033113 |
| work_keys_str_mv | AT shangshan benzyle32methylbenzylidenedithiocarbazate AT zhaowang benzyle32methylbenzylidenedithiocarbazate AT yanlanhuang benzyle32methylbenzylidenedithiocarbazate AT hanqiguo benzyle32methylbenzylidenedithiocarbazate AT dengfengli benzyle32methylbenzylidenedithiocarbazate |