A three-dimensional refinement of the crystal structure of p-benzoquinone has proceeded by computing observed and calculated differential syntheses, and an initial discrepancy factor of 22.5% has been reduced, after one isotropic and four anisotropic cycles, to 12.4 %. The thermal motions of the atoms have been interpreted in terms of the anisotropic translational and rotational oscillations of the molecule, and the final molecular dimensions have been compared with the results of an electron-diffraction investigation of the vapour, with the dimensions of similar molecules, and with theoretical values.
Crystals of nitrobenzene at -30 ° C. are monoclinic, space group P21/c, with four molecules in the uni~ cvll. The structure has been determined from the projectio~ along the short a-axis, and refined by three-dimensional differential syntheses. The molecule is exactly planar, and values of the bond lengths, valency angles, and intermolecular distances are given. THE CRYSTAL STRUCTURE OF NITROBENZENE AT --30 °C
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