Abstract
THE unit cell and space group of the m-bromobenzoate of photoisopyrocalciferol have been determined, and an X-ray diffraction investigation with three-dimensional data is in progress. Dauben and Fonken1 have postulated a structure for photoisopyrocalciferol based on chemical and spectroscopical investigations. The m-bromobenzoate has been prepared with a chemical analysis of C 72.23 per cent, H 8.17 per cent, and Br 13.58 per cent compared with the calculated values of C 72.52 per cent, H 8.17 per cent, and Br 13.79 per cent for the C35H47O2Br molecule. The crystals melt over the range 93.5–95° C. The crystals are colourless, flat needles with the long dimension parallel to the b axis. The a axis is perpendicular to the flat sides of the needles. Weissenberg photographs of the type hnl and hk0 have been taken showing systematic absences only of the type 0k0 with k odd. The usual intensity relationships for the monoclinic system are observed. The space group P21 is the only one consistent with the above observations and compatible with the asymmetrical molecules. The following cell dimensions have been determined from films calibrated with quartz powder patterns: a = 21.13 Å.; b = 7.39 Å.; c = 10.35 Å.; β = 92° 14′.
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Dauben, W. G., and Fonken, G. J., J. Amer. Chem. Soc., 81, 4060 (1959).
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HARDGROVE, G. Space Group and Unit Cell of the m-Bromobenzoate of Photoisopyrocalciferol. Nature 192, 551 (1961). https://doi.org/10.1038/192551a0
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DOI: https://doi.org/10.1038/192551a0
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