Two independent mol-ecules 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 thio-urea and the terminal benzene ring, as manifested in the C(m)-C(m)-C(a)-C(a) torsion angles [78.03â (16) and -93.64â (16)°, respectively; m = methyl-ene and a = aromatic]. The dihedral angles [84.40â (4) and 88.28â (5)°] formed between the thio-urea residue and the benzene ring indicate an almost orthogonal relationship. In each thio-urea residue, the N-H hydrogen atoms are anti, and the terminal N-H hydrogen atom forms an intra-molecular N-Hâ¯N hydrogen bond with the imine-N atom. In each case, the conformation about the imine C=N double bond [1.2812â (17) and 1.2801â (17)â à ] is E. In the crystal, the mol-ecules are connected by N-Hâ¯S hydrogen bonds and these are connected into four mol-ecule aggregates via N-Hâ¯O hydrogen bonds, which are assembled into a two-dimensional array parallel to (011) via C-Hâ¯Ï and Ï-Ï inter-actions [ring centroid-centroid distance = 3.8344â (9)â à ].
1-{(E)-[4-(4-Meth-oxy-phen-yl)butan-2-yl-idene]amino}-3-methyl-thio-urea.
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作者:Tan Ming-Yueh, Ravoof Thahira Begum S A, Tahir Mohamed Ibrahim Mohamed, Crouse Karen A, Tiekink Edward R T
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2012 | 起止号: | 2012 May 1; 68(Pt 5):o1461-2 |
| doi: | 10.1107/S160053681201611X | ||
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