Zende Vidya, Girase Tejpalsingh Ramsingh, Chrysochos Nicolas, Kapdi Anant Ramakant, Schulzke Carola
Department of Chemistry, Institute of Chemical Technology, Nathalal Parekh Road, Matunga, Mumbai 400019, India.
Institut für Biochemie, Universität Greifswald, Felix-Hausdorff-Strasse 4, 17487 Greifswald, Germany.
Acta Crystallogr E Crystallogr Commun. 2018 Oct 26;74(Pt 11):1665-1668. doi: 10.1107/S2056989018014792. eCollection 2018 Nov 1.
In the cation of the title mol-ecular salt, CHNO·Cl, an intra-molecular C-H⋯O hydrogen bond stabilizes the almost coplanar orientation of the aromatic ring of the indane unit and the amide plane. In the crystal, the packing is dominated by inter-molecular C-H⋯Cl hydrogen-bonding inter-actions that result in the formation of slab-like structures propagating along [010]. The slabs are linked by weak C-H⋯O inter-actions, forming layers lying parallel to (100). The methyl-ene carbon atom of the indanyl substituent is disordered over two positions with a refined occupancy ratio of 0.84 (2):0.16 (2). The crystal studied was refined as a twin with matrix [1 0 0.9, 0 0, 0 0 ]; the resulting BASF value is 0.30.
在标题分子盐CHNO·Cl的阳离子中，分子内C—H⋯O氢键使茚满单元的芳环和酰胺平面几乎共面的取向得以稳定。在晶体中，堆积主要由分子间C—H⋯Cl氢键相互作用主导，这些相互作用导致形成沿[010]方向传播的板状结构。这些板通过弱C—H⋯O相互作用相连，形成平行于(100)的层。茚满基取代基的亚甲基碳原子在两个位置上无序，精修占有率为0.84 (2):0.16 (2)。所研究的晶体作为具有矩阵[1 0 0.9, 0 0, 0 0 ]的孪晶进行精修；所得的BASF值为0.30。
