Abstract
The crystal structures of the 1: 1 and 1: 2 complexes between dibenzenehemiporphyrazine (I) and dimethylformamide (compounds II and III, respectively) are determined by X-ray diffraction. In both compounds, the macrocycle has a saddlelike shape. In III, the conformation of the macrocycle approximates the C 2v symmetry, which agrees closely with the results of quantum-chemical calculations for isolated molecule I and complex II. The ring conformation in crystal II is distorted under the effect of intermolecular interactions, as is evidenced by short intermolecular contacts. The complexes are stabilized by intermolecular N-H⋯O and C-H⋯O hydrogen bonds between the hydrogen atoms situated inside the cavity of the macrocycle and the oxygen atoms of the dimethylformamide molecules.
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Translated from Kristallografiya, Vol. 46, No. 3, 2001, pp. 461–464.
Original Russian Text Copyright © 2001 by Shishkin, Kovalevski\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) Shcherbakov, Islya\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \)kin, Kudrik, Baranski.
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Shishkin, O.V., Kovalevskii, A.Y., Shcherbakov, M.V. et al. Molecular and crystal structures of dibenzenehemiporphyrazine complexes with dimethylformamide. Crystallogr. Rep. 46, 411–414 (2001). https://doi.org/10.1134/1.1376470
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DOI: https://doi.org/10.1134/1.1376470