Pires Fabrício Carvalho, Bresolin Leandro, Gervini Vanessa Carratu, Tirloni Bárbara, Bof de Oliveira Adriano
Escola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália km 08, Campus Carreiros, 96203-900 Rio Grande-RS, Brazil.
Departamento de Química, Universidade Federal de Santa Maria, Av. Roraima s/n, Campus Universitário, 97105-900 Santa Maria-RS, Brazil.
Acta Crystallogr E Crystallogr Commun. 2020 Jan 1;76(Pt 1):115-120. doi: 10.1107/S2056989019016980.
The equimolar reaction between a racemic mixture of ()- and ()-camphorquinone with thio-semicarbazide yielded the title compound, CHNOS [common name: ()- and ()-camphor thio-semicarbazone], which maintains the chirality of the methyl-ated chiral carbon atoms and crystallizes in the centrosymmetric space group 2/. There are two mol-ecules in general positions in the asymmetric unit, one of them being the (1)-camphor thio-semicarbazone isomer and the second the (1)- isomer. In the crystal, the mol-ecular units are linked by C-H⋯S, N-H⋯O and N-H⋯S inter-actions, building a tape-like structure parallel to the (01) plane, generating (7) and (8) graph-set motifs for the H⋯S inter-actions. The Hirshfeld surface analysis indicates that the major contributions for crystal cohesion are from H⋯H (55.00%), H⋯S (22.00%), H⋯N (8.90%) and H⋯O (8.40%) inter-actions.
（±）-樟脑醌的外消旋混合物与硫代氨基脲之间的等摩尔反应生成了标题化合物CHNOS [通用名称：（±）-樟脑硫代氨基脲]，该化合物保持了甲基化手性碳原子的手性，并在中心对称空间群2/中结晶。不对称单元中有两个处于一般位置的分子，其中一个是（1）-樟脑硫代氨基脲异构体，另一个是（1）-异构体。在晶体中，分子单元通过C-H⋯S、N-H⋯O和N-H⋯S相互作用连接，形成平行于（01）平面的带状结构，为H⋯S相互作用生成 （7）和 （8）图形集 motif。Hirshfeld表面分析表明，晶体凝聚的主要贡献来自H⋯H（55.00%）、H⋯S（22.00%）、H⋯N（8.90%）和H⋯O（8.40%）相互作用。
