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Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethylidene]-N-methylhydrazine-1-carbothioamide
In the title compound, C(11)H(13)N(3)O(2)S, there is a short intramolecular N—H⋯N contact. The benzo[d][1,3]dioxole ring system is approximately planar (r.m.s. deviation = 0.025 Å) and makes a dihedral angle of 56.83 (6)° with the mean plane of the methylthiosemicarbazone fragment [–N—N—C(=S)—N—C...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331916/ https://www.ncbi.nlm.nih.gov/pubmed/25705494 http://dx.doi.org/10.1107/S2056989014026395 |
Sumario: | In the title compound, C(11)H(13)N(3)O(2)S, there is a short intramolecular N—H⋯N contact. The benzo[d][1,3]dioxole ring system is approximately planar (r.m.s. deviation = 0.025 Å) and makes a dihedral angle of 56.83 (6)° with the mean plane of the methylthiosemicarbazone fragment [–N—N—C(=S)—N—C; maximum deviation = 0.1111 (14) Å for the imino N atom]. In the crystal, molecules are linked via pairs of N—H⋯S hydrogen bonds, forming inversion dimers. The dimers are connected by N—H⋯S hydrogen bonds into layers parallel to (100). The H atoms of both methyl groups are disordered over two sets of sites and were refined with occupancy ratios of 0.5:0.5 and 0.75:0.25. |
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