Islor Arun M, Vijesh A M, Gerber Thomas, Hosten Eric, Betz Richard
National Institute of Technology-Karnataka, Department of Chemistry, Organic Chemistry Laboratory, Surathkal, Mangalore 575 025, India.
Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3302-3. doi: 10.1107/S1600536812045333. Epub 2012 Nov 10.
In the title compound, C21H23N3O4S·H2O, the methyl-sulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydro-pyridine ring adopts an E4 conformation. In the crystal, classical O-H⋯N, O-H⋯O and N-H⋯O hydrogen bonds, as well as C-H⋯O and C-H⋯S contacts, connect the mol-ecules into a three-dimensional network.
在标题化合物C21H23N3O4S·H2O中,甲硫基在两组位置上无序分布,占位因子分别为0.631 (11)和0.369 (11)。二氢吡啶环呈E4构象。在晶体中,典型的O-H⋯N、O-H⋯O和N-H⋯O氢键以及C-H⋯O和C-H⋯S接触将分子连接成三维网络。