Zukerman-Schpector Julio, Olivato Paulo R, Traesel Henrique J, Valença Jéssica, Rodrigues Daniel N S, Tiekink Edward R T
Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.
Instituto de Química, Universidade de São Paulo, 05508-000 São Paulo, SP, Brazil.
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o3-4. doi: 10.1107/S205698901402550X.
In the title β-thio-carbonyl compound, C16H16O2S, the carbonyl and meth-oxy O atoms are approximately coplanar [O-C-C-O torsion angle = -18.2 (5)°] and syn to each other, and the tolyl ring is orientated to lie over them. The dihedral angle between the planes of the two rings is 44.03 (16)°. In the crystal, supra-molecular chains are formed along the c axis mediated by C-H⋯O inter-actions involving methine and methyl H atoms as donors, with the carbonyl O atom accepting both bonds; these pack with no specific inter-molecular inter-actions between them.
在标题化合物β-硫代羰基化合物C₁₆H₁₆O₂S中，羰基和甲氧基的氧原子近似共面[O-C-C-O扭转角 = -18.2 (5)°]且彼此顺式排列，甲苯基环位于它们上方。两个环平面之间的二面角为44.03 (16)°。在晶体中，超分子链沿c轴形成，由涉及次甲基和甲基氢原子作为供体的C-H⋯O相互作用介导，羰基氧原子接受这两个键；它们堆积时彼此之间没有特定的分子间相互作用。
