The crystal and molecular structure of 9,10-dimethylphenanthrene
Abstract
The crystal structure of 9,10-dimethylphenanthrene, C16H14, at room temperature, has been determined by direct methods and refined by least-squares to R = 0.030 over 554 independent reflections measured by diffractometer from a single crystal. Two molecules crystallise in a monoclinic unit cell, a = 9.103(3) Å, b = 5.454(2) Å, c = 11.666(3) Å, β = 104.27(2)°, in space group P21. Carbon atoms of each ring are planar to within 0.01 Å and adjacent ring planes are inclined at 1°. Methyl carbons C(15) and C(16) lie respectively 0.06 and 0.04 Å above and below the mean molecular plane of carbon atoms; this plane also contains the non-methyl hydrogen atoms to within 0.1 Å. Carbon – carbon bond lengths are C(12) – C(13) = 1.444(3) Å at the bay and C(9) – C(10) = 1.356(4) Å at the substituted K region.
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