Altamura Maria, Fedi Valentina, Nannicini Rossano, Paoli Paola, Rossi Patrizia
Chemistry Department, Menarini Ricerche S.p.A., Via dei Sette Santi 3, I-50131 Firenze, Italy.
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3144-5. doi: 10.1107/S160053681204264X. Epub 2012 Oct 20.
The asymmetric unit of the title compound, C(18)H(22)N(2)O(3)S, contains two mol-ecules, exhibiting similar conformations [C-S-N-C torsion angles of -82.2 (2) and -70.4 (2)°, and dihedral angles between the mean planes of the aromatic rings of 56.6 (6) and 51.6 (6)° in mol-ecules I and II, respectively]. However, the two independent mol-ecules show distinctly different hydrogen-bonding patterns. In the crystal, molecules I form inversion dimers via pairs of N-H⋯O hydrogen bonds, whereas for molecules II the N-H⋯O hydrogen bond is intramolecular. The hydrogen-bonded dimers of I further propagate along the b-axis direction through π-π inter-actions [the distance between ring centroids is 3.8424 (8) Å].
标题化合物C(18)H(22)N(2)O(3)S的不对称单元包含两个分子，呈现出相似的构象[分子I和II中C-S-N-C扭转角分别为-82.2 (2)°和-70.4 (2)°，芳环平均平面之间的二面角分别为56.6 (6)°和51.6 (6)°]。然而，两个独立分子呈现出明显不同的氢键模式。在晶体中，分子I通过N-H⋯O氢键对形成反演二聚体，而对于分子II，N-H⋯O氢键是分子内的。I的氢键二聚体通过π-π相互作用[环心之间的距离为3.8424 (8) Å]进一步沿b轴方向扩展。
