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Polarity and structure of 2-(1-methylbenzimidazol-2-yl)-1-phenyl- and -1,2-diphenyl-1-nitroethenes |
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| Authors: | E A Ishmaeva Ya A Vereshchagina D V Chachkov O S Vasil’eva E S Ostroglyadov A A Nikonorov I A Litvinov D B Krivolapov A Z Alimova V M Berestovitskaya |
| Institution: | 1. Kazan (Volga Region) Federal University, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008, Russia 2. Joint Supercomputer Center of the Russian Academy of Sciences (Kazan Branch), Kazan, Tatarstan, Russia 3. Herzen Russian State Pedagogical University, St. Petersburg, Russia 4. Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia |
| Abstract: | Polarity of 2-(1-methylbenzimidazol-2-yl)-1-phenyl- and -1,2-diphenyl-1-nitroethenes was determined and their structure was studied using electronic and 1H, 13C NMR spectroscopy, dipole moments measuring, XRD analysis, and quantum-chemical calculations. It was shown that the 2-(1-methylbenzimidazol-2-yl)-1-nitro-1-phenylethene has Z-configuration both in crystal and solution. The nitro group and benzimidazole substituent in its molecule are removed from the plane of the double bond. For 1,2-diphenyl-1-nitroethene E-structure is typical. |
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