结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2000年
2期
99-102
,共4页
李淑瑾%张德纯%曹阳%葛丽芹%郁开北
李淑瑾%張德純%曹暘%葛麗芹%鬱開北
리숙근%장덕순%조양%갈려근%욱개북
benzoylphenyl thiourea%molecular structure%crystal structure
The title compound (C15H13ClN2OS, Mr = 304.9) crystallizes in the triclinic system space group P1, a=7. 984(2), b=9.712(1), c=11. 140(1) A ,α=97.58(1),β=110. 55(1), γ=106. 14(1)°, V=751.2(2)A 3, Z=2, Dc=1. 347g/cm3,μ(MoKα)=0. 389cm-1, F(000)=316. The final R and wR are 0. 0349 and 0.0894 for 2008 observed reflections (I≥2σ(I)), respectively. In the molecule of the title compound , there is an intramolecular hydrogen bond between the amide N and benzyl O atoms , forming a six-membered ring in the central part of molecule. In the crystal, molecules are connected into infinite zigzag chins by N-H…S(-x,-y+1,-z)and weak interaction N-H…O(-x-1,-y-1,-z-1)along the direction[101](a+c).The weak intermolecular interaction Cl…Cl(-x,-y,-z)links the chains into a layer. Between the resulting layers there are mainly van der Waals interactions.
