结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2005年
2期
191-195
,共5页
王雷%陆澄容%张勇%张德纯
王雷%陸澄容%張勇%張德純
왕뢰%륙징용%장용%장덕순
4-methoxy-4'-methyl-chalcone%cooperative C-H…O hydrogen bonds%crystal structure%chalcone
The title compound (C17H16O2, Mr = 252.30) crystallizes in the monoclinic system,
space group P21/c with a = 11.5763(14), b = 11.0321(11), c = 11.5094(13) (A),β = 114.581(3)°, V=
1336.7(3) (A)3, Z = 4, Dc = 1.254 g/cm3, μ(MoKa) = 0.081 cm-1 and F(000) = 536.00. The final R
and wR are 0.0527 and 0.1285, respectively for 3058 observed reflections (I ＞ 2σ(I)). In the title
molecule, two phenyl rings are rotated oppositely with respect to the central part C(1)-C(2)=C(3)-
C(4) (plane 3) and the dihedral angle between them is 14.8°. The phenone O(1) atom deviates from
plane 3 by 0.291(A). In the crystal the molecules form H-bond chains of R21(6) and R21 (5) types
similar crystals are also presented.
