Novel  tris (5‐aryl‐1 H ‐tetrazol‐1‐yl)methanes and 2‐dichloromethyl‐5‐aryl‐2 H ‐tetrazoles and noncovalent interactions in their crystal structure | Zendy

Mikolaichuk Olga V. | Zendy; Protas Aleksandra V. | Zendy; Popova Elena A. | Zendy; Mikherdov Alexander S. | Zendy; Kornyakov Ilya V. | Zendy; Trifonov Rostislav E. | Zendy

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Novel tris (5‐aryl‐1 H ‐tetrazol‐1‐yl)methanes and 2‐dichloromethyl‐5‐aryl‐2 H ‐tetrazoles and noncovalent interactions in their crystal structure

Author(s) -

Mikolaichuk Olga V.,

Protas Aleksandra V.,

Popova Elena A.,

Mikherdov Alexander S.,

Kornyakov Ilya V.,

Trifonov Rostislav E.

Publication year - 2020

Publication title -

journal of heterocyclic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.321

H-Index - 59

eISSN - 1943-5193

pISSN - 0022-152X

DOI - 10.1002/jhet.3969

Subject(s) - chemistry , aryl , tetrazole , electrophile , tris , crystal structure , medicinal chemistry , non covalent interactions , crystallography , stereochemistry , molecule , organic chemistry , hydrogen bond , alkyl , catalysis , biochemistry

A series of tris (5‐aryl‐1 H ‐tetrazol‐1‐yl)methanes ( 3a‐3g ) and 2‐dichloromethyl‐5‐aryl‐2 H ‐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, 1 H and 13 C{ 1 H} 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‐1 H ‐tetrazol‐1‐yl)methanes 3a , b and 2‐dichloromethyl‐5‐aryl‐2 H ‐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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