N-(4-Hydroxyphenyl)-2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)ac etamide

Department of Chemistry, University of New Orleans, New Orleans, LA 70148, USA.
Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 07/2009; 65(Pt 7):o1667. DOI: 10.1107/S1600536809023022
Source: PubMed


In the title compound, C(15)H(12)N(2)O(5)S, the benzisothiazole group is approximately planar (r.m.s. deviation excluding H atoms and the two O atoms bonded to S = 0.023 angstrom). The dihedral angle between the benzisothiazole ring and the terminal phenol ring is 84.9 (1)degrees. In the crystal, molecules are joined by N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds, and pi-stacking interactions are observed between alternating phenol and benzisothiazole rings [centroid-centroid distances = 3.929 (3) and 3.943 (3) angstrom].

Download full-text


Available from: Edwin D. Stevens, Sep 22, 2015
11 Reads
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: An account is given of the development of the SHELX system of computer programs from SHELX-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in SHELX, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long. SHELXL is the most widely used program for small-molecule refinement and SHELXS and SHELXD are often employed for structure solution despite the availability of objectively superior programs. SHELXL also finds a niche for the refinement of macromolecules against high-resolution or twinned data; SHELXPRO acts as an interface for macromolecular applications. SHELXC, SHELXD and SHELXE are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for high-throughput phasing. This paper could serve as a general literature citation when one or more of the open-source SHELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
    Acta Crystallographica Section A Foundations of Crystallography 02/2008; 64(Pt 1):112-22. DOI:10.1107/S0108767307043930 · 2.31 Impact Factor
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: All atoms of the title mol-ecule, C(8)H(7)NO(3)S, except the two oxide O atoms and two H atoms of the methyl group, lie on a crystallographic mirror plane. The crystal structure is stabilized by weak inter- and intra-molecular C-H⋯O hydrogen bonds.
    Acta Crystallographica Section E Structure Reports Online 04/2008; 64(Pt 4):o724. DOI:10.1107/S1600536808004637 · 0.35 Impact Factor
  • Clinical Pharmacology &#38 Therapeutics 10/1996; 60(3):241-6. DOI:10.1016/S0009-9236(96)90050-8 · 7.90 Impact Factor
Show more