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1-{(E)-[4-(4-Meth­oxy­phen­yl)butan-2-yl­idene]amino}-3-methyl­thio­urea

Two independent mol­ecules comprise the asymmetric unit of the title compound, C(13)H(19)N(3)OS, which differ in the conformations of the residues linking the thio­urea and the terminal benzene ring, as manifested in the C(m)—C(m)—C(a)—C(a) torsion angles [78.03 (16) and −93.64 (16)°, respectively;...

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Detalles Bibliográficos
Autores principales: Tan, Ming-Yueh, Ravoof, Thahira Begum S. A., Tahir, Mohamed Ibrahim Mohamed, Crouse, Karen A., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344575/
https://www.ncbi.nlm.nih.gov/pubmed/22590337
http://dx.doi.org/10.1107/S160053681201611X
Descripción
Sumario:Two independent mol­ecules comprise the asymmetric unit of the title compound, C(13)H(19)N(3)OS, which differ in the conformations of the residues linking the thio­urea and the terminal benzene ring, as manifested in the C(m)—C(m)—C(a)—C(a) torsion angles [78.03 (16) and −93.64 (16)°, respectively; m = methyl­ene and a = aromatic]. The dihedral angles [84.40 (4) and 88.28 (5)°] formed between the thio­urea residue and the benzene ring indicate an almost orthogonal relationship. In each thio­urea residue, the N—H hydrogen atoms are anti, and the terminal N—H hydrogen atom forms an intra­molecular N—H⋯N hydrogen bond with the imine-N atom. In each case, the conformation about the imine C=N double bond [1.2812 (17) and 1.2801 (17) Å] is E. In the crystal, the mol­ecules are connected by N—H⋯S hydrogen bonds and these are connected into four mol­ecule aggregates via N—H⋯O hydrogen bonds, which are assembled into a two-dimensional array parallel to (011) via C—H⋯π and π–π inter­actions [ring centroid–centroid distance = 3.8344 (9) Å].