Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Novel tris(5-aryl-1H-tetrazol-1-yl)methanes and 2-dichloromethyl-5-aryl-2H-tetrazoles and noncovalent interactions in their crystal structure. / Mikolaichuk, Olga V. ; Protas, Aleksandra V.; Popova, Elena A. ; Mikherdov, Alexander S. ; Kornyakov, Ilya V. ; Trifonov, Rostislav E.
в: Journal of Heterocyclic Chemistry, Том 57, № 6, 01.06.2020, стр. 2539-2547.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Novel tris(5-aryl-1H-tetrazol-1-yl)methanes and 2-dichloromethyl-5-aryl-2H-tetrazoles and noncovalent interactions in their crystal structure
AU - Mikolaichuk, Olga V.
AU - Protas, Aleksandra V.
AU - Popova, Elena A.
AU - Mikherdov, Alexander S.
AU - Kornyakov, Ilya V.
AU - Trifonov, Rostislav E.
PY - 2020/6/1
Y1 - 2020/6/1
N2 - 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 com- pounds 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.
AB - 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 com- pounds 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.
KW - BOND ORBITAL ANALYSIS
KW - DELOCALIZATION
KW - AROMATICITY
KW - RINGS
KW - VAN
UR - http://www.scopus.com/inward/record.url?scp=85081979759&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/29954579-1f20-3fc2-86c6-c8d6551763c5/
U2 - 10.1002/jhet.3969
DO - 10.1002/jhet.3969
M3 - Article
VL - 57
SP - 2539
EP - 2547
JO - Journal of Heterocyclic Chemistry
JF - Journal of Heterocyclic Chemistry
SN - 0022-152X
IS - 6
ER -
ID: 52429503