Novel tris(5-aryl-1H-tetrazol-1-yl)methanes and 2-dichloromethyl-5-aryl-2H-tetrazoles and noncovalent interactions in their crystal structure |
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| Authors: | Olga V Mikolaichuk Aleksandra V Protas Elena A Popova Alexander S Mikherdov Ilya V Kornyakov Rostislav E Trifonov |
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| Institution: | Saint Petersburg State University, Saint Petersburg, Russia |
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| Abstract: | A series of tris(5-aryl-1H-tetrazol-1-yl)methanes ( 3a-3g ) and 2-dichloromethyl-5-aryl-2H-tetrazoles ( 4a-4d ) were synthesized by reaction of 5-aryl-NH-tetrazoles with trichloromethane in strong aqueous basic condition. The compounds obtained were fully characterized by means of HRESI-MS, 1H and 13C{1H} NMR spectroscopies, as well as by single-crystal X-ray diffraction (for 3a , 3b , 4d ). Inspection of the X-ray diffraction data and Hirshfeld surface analysis for tris(5-aryl-1H-tetrazol-1-yl)methanes 3a , b and 2-dichloromethyl-5-aryl-2H-tetrazole 4d showed the presence of noncovalent π-hole???lone pair and π-hole???π interactions involving electrophilic tetrazole carbon atom. |
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