Ethyl 3-[2-(p-tolylcarbamothioyl)hydrazinylidene]butanoate
| Autor: | Xu-Feng Hou, Feng-Ling Yang, Yan-Ling Zhang, Fu-Juan Zhang |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2010 |
| Předmět: |
Crystallography
Hydrogen bond Chemistry General Chemistry Crystal structure Dihedral angle Condensed Matter Physics Ring (chemistry) Condensation reaction Bioinformatics Organic Papers Medicinal chemistry chemistry.chemical_compound QD901-999 Ethyl acetoacetate General Materials Science Benzene Unit (ring theory) |
| Zdroj: | Acta Crystallographica Section E, Vol 66, Iss 11, Pp o2971-o2971 (2010) Acta Crystallographica Section E: Structure Reports |
| ISSN: | 1600-5368 |
| Popis: | The title compound, C14H19N3O2S, was obtained from a condensation reaction of N-(p-tolyl)hydrazinecarbothioamide and ethyl acetoacetate. The molecule assumes an E configuration; the thiosemicarbazide and ester groups are located on the opposite sides of the C=N bond. The almost planar thiosemicarbazide unit (r.m.s. deviation = 0.0130 Å) is tilted at a dihedral angle of 49.54 (12)° with respect to the benzene ring. Intermolecular N—H...N and N—H...S hydrogen bonding stabilizes the crystal structure. The ethoxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680 (10):0.320 (10). |
| Databáze: | OpenAIRE |
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