The title compound C（15）H（14）N4OS·H<sub>2</sub>O crystallizes in the monoclinic system, space group P21/a, with a=8. 733（3） , b= 16. 731 （4） , c=10. 476（4） A,β= 95. 41（3） °, V = 1523...The title compound C（15）H（14）N4OS·H<sub>2</sub>O crystallizes in the monoclinic system, space group P21/a, with a=8. 733（3） , b= 16. 731 （4） , c=10. 476（4） A,β= 95. 41（3） °, V = 1523. 7（8） A￣3, D<sub>c</sub>=1. 38 g/cm￣3, Z = 4,Mr= 316. 38,λ（MoKα） = 0. 71069 A, F（000） = 664,μ= 2.14 cm-1, T= 296K. Final R=0. 054,and Rω=0.063 for 1279 reflections with I≥3σ（I）. The parent structure of the molecule is a distorted six-membered ring. The effect of the steric hindrance between the two phenyls on the conjugate interactions in the heterocyclic ring has been discussed.展开更多
文摘The title compound C（15）H（14）N4OS·H<sub>2</sub>O crystallizes in the monoclinic system, space group P21/a, with a=8. 733（3） , b= 16. 731 （4） , c=10. 476（4） A,β= 95. 41（3） °, V = 1523. 7（8） A￣3, D<sub>c</sub>=1. 38 g/cm￣3, Z = 4,Mr= 316. 38,λ（MoKα） = 0. 71069 A, F（000） = 664,μ= 2.14 cm-1, T= 296K. Final R=0. 054,and Rω=0.063 for 1279 reflections with I≥3σ（I）. The parent structure of the molecule is a distorted six-membered ring. The effect of the steric hindrance between the two phenyls on the conjugate interactions in the heterocyclic ring has been discussed.
