Crystal structure refinements with generalized scattering factors. I. 1,1′-Azobiscarbamide

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Abstract
1,1′‐Azobiscarbamide, C2H4N4O2, is monoclinic, space group P21/c, with a = 3.593, b = 9.095, c = 7.635, β = 113°15′, and Z = 2. Data were collected with an automatic diffractometer using crystal monochromated MoK α radiation. The usual spherical free atom model with anisotropic thermal parameters was used in making the least‐squares refinement. In addition, refinements were made with generalized scattering factors, and the scalar, dipole, and quadrupole one‐center terms and scalar two‐center terms were successively added. The aspherical distortions found are reasonable and produce a significant improvement between measured and calculated intensities. No significant difference in bond distances was observed.