Crystal and molecular structure of Δ-5,6-diphenyl-5-methoxy-1,2,4-triazacyclohexene-3-thione and Δ-4-methyl-5,6-diphenyl-5-ethoxy-1,2,4-triazacyclohexene-3-thione |
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Authors: | Elena Bermejo Alfonso Castieiras Douglas X West |
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Institution: | a Departamento de Quimica Inorganica, Universidad de Santiago de Compostela, Santiago de Compostela, Spain b Department of Chemistry, Illinois State University, Normal, IL 61790-4160, USA |
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Abstract: | Condensation of thiosemicarbazide or N(4)-ethylthiosemicarbazide with 1,2,8,9-tetraphenyl-3,7-diazanona-1,9-dione in the presence of copper(II) acetate in 96% ethanol leads to Δ6-5,6-diphenyl-5-methoxy-1,2,4-triazacyclohexene-3-thione, C16H15N3OS, or Δ6-4-methyl-5,6-diphenyl-5-ethoxy-1,2,4-triazacyclohexene-3-thione, C18H19N3OS. For C16H15N3OS the crystal data are monoclinic, P21/c, a=9.7780(7), b=8.5120(3), c=18.2210(13) Å, β=100.958(3)°, V=1488.89(16) Å3, and Z=4 in agreement with an earlier report. For C18H19N3OS the crystal data are orthorhombic, P212121, a=8.6940(3), b=12.9946(3), c=15.5139(5) Å, V=1752.68(9) Å3, and Z=4. |
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Keywords: | Crystal structure 1 2 4-Triazacyclohexene-3-thione Thiosemicarbazide Hydrogen bonding |
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