Madhan Sundarasamy, NizamMohideen MohamedHanifa, Viswanathan Vijayan, Karthik Ananth Mani, Narasimhan Srinivasan
Department of Physics, The New College, Chennai 600 014, University of Madras, Tamil Nadu, India.
Department of Biophysics, All India Institute of Medical Science, New Delhi 110029, India.
Acta Crystallogr E Crystallogr Commun. 2024 Apr 18;80(Pt 5):489-494. doi: 10.1107/S2056989024003177. eCollection 2024 Apr 1.
The title compound, CHNOS, adopts an configuration with respect to the C=N bond. The propionate group adopts an anti-periplanar () conformation. There are short intra-molecular N-H⋯N and C-H⋯O contacts, forming (5) and (6) ring motifs, respectively. In the crystal, mol-ecules are connected into ribbons extending parallel to [010] by pairs of N-H⋯S inter-actions, forming rings with (8) graph-set motifs, and by pairs of C-H⋯S inter-actions, where rings with the graph-set motif (7) are observed. The O atom of the carbonyl group is disordered over two positions, with a refined occupancy ratio of 0.27 (2):0.73 (2). The studied crystal consisted of two domains.
标题化合物CHNOS关于C=N键采取Z构型。丙酸酯基团采取反式共平面()构象。存在短的分子内N-H⋯N和C-H⋯O接触,分别形成(5)和(6)环模式。在晶体中,分子通过N-H⋯S相互作用对连接成平行于[010]延伸的带状物,形成具有(8)图集模式的环,并且通过C-H⋯S相互作用对,其中观察到具有图集模式(7)的环。羰基的O原子在两个位置上无序,精制占有率为0.27 (2):0.73 (2)。所研究的晶体由两个畴组成。