Chemical and Pharmaceutical Bulletin
Online ISSN : 1347-5223
Print ISSN : 0009-2363
ISSN-L : 0009-2363
Crystal and Molecular Structures of Pyrazol-3-one Derivatives. I. 1, 2-Dihydro-5-methyl-2-phenyl-4-(9H-thioxanthen-9-yl)-3H-pyrazol-3-one
MICHIO KIMURAICHIZO OKABAYASHINORITAKE YASUOKA
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1983 Volume 31 Issue 10 Pages 3718-3723

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Abstract
The crystal and molecular structure of 1, 2-dihydro-5-methyl-2-phenyl-4- (9H-thioxanthen-9-yl) -3H-pyrazol-3-one was examined by the X-ray diffraction method to establish the predominant tautomeric form (3b) due to the pyrazol-3-one ring in the solid state. The title compound, C23H18N2OS, crystallizes in space group Cc with lattice parameters a=17.675 (8), b=12.421 (3), c=11.374 (7) Å, β=132.57 (3)°, and Z=4. In crystals, molecules of 3b are linked by an intermolecular hydrogen bond between the NH and C=O groups.
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© The Pharmaceutical Society of Japan
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