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• W2022387022 abstract "1,10-dichloro-3,8-dimethyl-4,7-phenanthroline crystallizes in the triclinic system with a = 7.651(3), b = 7.792(3), c = 12.301(3)A, α = 108.48(6), β = 82.74(2), γ = 116.53(4)° space group , Dm = 1.479 g cm−3, Dc = 1.480(5) g cm−3 for two formula units per cell. The intensities of about 2000 reflections were measured by semi-automatic Weissenberg diffractometer and supplemented by precession diffractometer measurements. The crystal structure was solved by the SEARCH method (Rabinovich and Schmidt, Nature, 211: 1391 (1968)) and refined by full-matrix least squares methods, using anisotropic temperature factors for non-hydrogen atoms. The final R-factor was 0.067 and the “goodness of fit” 0.94. The molecule has an approximate two-fold axis of symmetry and is appreciably distorted from planarity, the two chlorines being displaced by +1.12A and −1.15A from the mean molecular plane; the non-bonded ClCl distance is 3.082(3)A. Bond lengths are close to standard values but there are appreciable distortions in bond angles, torsion angles and fold angles. There is hexagonal close packing of stacks of molecules, with van der Waals binding between stacks. Anti-parallelism of adjacent molecules in a stack suggests that dipole-dipole forces are important in the intrastack binding. Comparison of the present molecular structure with that of 2,7-dibromo-4,5-bis-(2-pyridyl)phenanthrene-3,6-diol (Smith and Barrett, Acta Crystallogr., B27: 419 (1971)) shows that the present molecule is the more highly overcrowded." @default.
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• W2022387022 date "1972-01-01" @default.
• W2022387022 modified "2023-09-24" @default.
• W2022387022 title "The Crystal and Molecular Structures of Overcrowded Halogenated Compounds VII. 1:10-Dichloro-3:8-Dimethyl4:7-Phenanthroline" @default.
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• W2022387022 doi "https://doi.org/10.1002/ijch.197200052" @default.
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