TY - JOUR
T1 - Crystal and molecular structure of 2-mercaptobenzothiozole — A redetermination
AU - Radha, Akella
N1 - Copyright:
Copyright 2015 Elsevier B.V., All rights reserved.
PY - 1985
Y1 - 1985
N2 - The structure of the title compound, C7H5NS2, was re-determined in order to verify the presence of any discrepancies like shorter bond-length between two of the carbon atoms or the presence of unusual hydrogen bonding which were reported in the earlier literature. The crystals are monoclinic, space group P21/n with cell parameters a = 8.014(2) Å, b = 6.004(2)Å, c = 15.393(2)Å, ß = 100.72(2)°, Dc = 1.526 g cm-3, which agree well with those reported earlier. The present work does not have the discrepancies reported earlier. The structure was refined by full-matrix least-squares refinement to a final R = 0.035 for 1017 unique reflections.
AB - The structure of the title compound, C7H5NS2, was re-determined in order to verify the presence of any discrepancies like shorter bond-length between two of the carbon atoms or the presence of unusual hydrogen bonding which were reported in the earlier literature. The crystals are monoclinic, space group P21/n with cell parameters a = 8.014(2) Å, b = 6.004(2)Å, c = 15.393(2)Å, ß = 100.72(2)°, Dc = 1.526 g cm-3, which agree well with those reported earlier. The present work does not have the discrepancies reported earlier. The structure was refined by full-matrix least-squares refinement to a final R = 0.035 for 1017 unique reflections.
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U2 - 10.1524/zkri.1985.171.3-4.225
DO - 10.1524/zkri.1985.171.3-4.225
M3 - Article
AN - SCOPUS:4344606860
SN - 1433-7266
VL - 171
SP - 225
EP - 228
JO - Zeitschrift fur Kristallographie - New Crystal Structures
JF - Zeitschrift fur Kristallographie - New Crystal Structures
IS - 3-4
ER -