Crystal and electronic structure of heteromolecular complexes of 3,6-bis(3,5-dymethylpyrazole-1-yl)-1,2,4,5-tetrazine with azoles |
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| Authors: | P. A. Slepukhin E. S. Salmina V. A. Potemkin M. A. Grishina |
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| Affiliation: | 1. I. Ya. Postovskii Institute of Organic Synthesis, Ural Division, Russian Academy of Sciences, Yekaterinburg, Russia
2. Pharmacy Department, Chelyabinsk State Medical Academy, Chelyabinsk, Russia
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| Abstract: | X-ray crystallography is used to investigate heteromolecular crystals of 3,6-bis(3,5-dimethylpyrazole-1-yl)-1,2,4,5-tetrazine with NH-donating azole derivatives. The effect is studied of the structure of azole on molecular packing in the crystal and the characteristics of covalent bonds in the molecule of 3,6-disubstituted tetrazine. The distribution of electron density critical points inside crystal cells is analyzed to identify and quantitatively describe the intermolecular interactions underlying the formation of lateral and stacking motifs. |
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