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In the title mol-ecule, C(15)H(13)NO(2)S, an intra-molecular O-H⋯N hydrogen bond forms an S(6) ring motif. The benzothia-zole ring system and the benzene ring form a dihedral angle of 8.9 (3) Å. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming chains along the b axis. In addition, π-π inter-actions [centroid-centroid distances = 3.772 (4) and 3.879 (4) Å] are observed.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435656 | PMC |
http://dx.doi.org/10.1107/S1600536812033879 | DOI Listing |
IUCrdata
October 2024
Nelson Mandela University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth, 6031, South Africa.
The title compound, CHO, is an α-hy-droxy-carb-oxy-lic acid whose ortho-rhom-bic polymorph has been reported earlier [Qiu (2007 ▸). , , 1819-1824]. The asymmetric unit contains two complete mol-ecules.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
February 2023
Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, 2000 Neuchâtel, Switzerland.
The crystal structure of the title compound, CHBrN [systematic name: ()-,1-bis-(4-bromo-phen-yl)methanimine], is a second polymorph (Form II) crystallizing in the ortho-rhom-bic space group . The first polymorph (Form I) crystallizes in the monoclinic space group 2/ [Bernstein & Izak (1975 ▸). , 257-266; Marin (2013 ▸).
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2022
Purdue University, Department of Chemistry, 560 Oval Dr., West Lafayette, IN 47907, USA.
Substituted triazines are a class of compounds utilized for scavenging and sequestering hydrogen sulfide in oil and gas production operations. The reaction of one of these triazines under field conditions resulted in the formation of the title compound, 2-(1,3,5-di-thia-zinan-5-yl)ethanol, CHNOS, or MEA-di-thia-zine. Polymorphic form I, in space group 4/, was first reported in 2004 and its extended structure displays one-dimensional, helical strands connected through O-H⋯O hydrogen bonds.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
August 2021
M2i Salin, 36 Route Arles RD 36, 13129 Salin de Giraud, France.
Two polymorphs, () and (), of ()-{2-[(8,9,10,11,13,14,17)-11,17-dihy-droxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca-hydro-1-cyclo-penta-[]phenanthren-17-yl]-2-oxoeth-yl} 2,2-di-methyl-propane-thio-ate, CHOS, have been identified. They are ortho-rhom-bic, non-centrosymmetric (222). The structures display layers of mol-ecules conected O-H⋯O hydrogen bonds along the axis direction in polymorph () and along the axis direction in polymorph ().
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
April 2021
Chemistry Division, Code 6189, Naval Research Laboratory, 4555 Overlook Av, SW, Washington DC 20375-5342, USA.
The title compound, CDClNO·Cl, crystallizes in the ortho-rhom-bic space group, , and consists of a 4-chloro-2-methyl-6-oxo-3,6-di-hydro-pyrimidin-1-ium cation and a chloride anion where both moieties lie on a crystallographic mirror. The cation is disordered and was refined as two equivalent forms with occupancies of 0.750 (4)/0.
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