The title compound, C11H12O2, crystallizes in space group Pbcn (#60), a=8. 308(2), b=12. 812(3), c=8. 444(2) A, V=898. 8(6)A3, Z=4, Dc=1. 302 g/cm3, μ(MoKα) = 0. 88 cm-1, F (000) = 376. 00. The final R and Rw are0. ...The title compound, C11H12O2, crystallizes in space group Pbcn (#60), a=8. 308(2), b=12. 812(3), c=8. 444(2) A, V=898. 8(6)A3, Z=4, Dc=1. 302 g/cm3, μ(MoKα) = 0. 88 cm-1, F (000) = 376. 00. The final R and Rw are0. 038 and 0. 045 for 401 observed reflections (I>3σ(I) ), respectively- The moleculeis nearly planar, having a 2-fold axis. Two-dimensional sheets are formed by weak in-termolecular hydrogen bonding. The sheets are antiparallelly packed by van der Waalsinteractions.展开更多
Analysis on the space group distribution in 78 substituted phenols re-vealed its unusual high frequencies in groups with non-centrosymmetry or polar axis orhigher symmetry or Z' > 1. Based on the characteristic...Analysis on the space group distribution in 78 substituted phenols re-vealed its unusual high frequencies in groups with non-centrosymmetry or polar axis orhigher symmetry or Z' > 1. Based on the characteristics of intermolecular H-bondsformed by two OH groups,the space group distribution could be rationalized well.展开更多
文摘The title compound, C11H12O2, crystallizes in space group Pbcn (#60), a=8. 308(2), b=12. 812(3), c=8. 444(2) A, V=898. 8(6)A3, Z=4, Dc=1. 302 g/cm3, μ(MoKα) = 0. 88 cm-1, F (000) = 376. 00. The final R and Rw are0. 038 and 0. 045 for 401 observed reflections (I>3σ(I) ), respectively- The moleculeis nearly planar, having a 2-fold axis. Two-dimensional sheets are formed by weak in-termolecular hydrogen bonding. The sheets are antiparallelly packed by van der Waalsinteractions.
文摘Analysis on the space group distribution in 78 substituted phenols re-vealed its unusual high frequencies in groups with non-centrosymmetry or polar axis orhigher symmetry or Z' > 1. Based on the characteristics of intermolecular H-bondsformed by two OH groups,the space group distribution could be rationalized well.