X-ray diffraction and quantum-chemical study of 3-(1,3-dioxolan-2-yl)-4,6-dinitrobenzo[d]isoxazole

X-ray diffraction and quantum-chemical study of 3-(1,3-dioxolan-2-yl)-4,6-dinitrobenzo[d]isoxazole Full article

Journal

Russian Chemical Bulletin
ISSN: 1573-9171 , E-ISSN: 1066-5285

Output data

Year: 2003, Volume: 52, Number: 10, Pages: 2095-2099 Pages count : 5 DOI: 10.1023/b:rucb.0000011863.21741.90

Authors

Korlyukov A.A. ¹ , Starosotnikov A.M. ² , Lyssenko K.A. ¹ , Shevelev S.A. ² , Antipin M.Yu. ¹

Affiliations

1	A.N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences, Moscow, Russian Federation
2	N. D. Zelinsky Institute of Organic Chemistry Russian Academy of Sciences, Moscow, Russian Federation

X-ray diffraction study of the molecular structure of 3-(1,3-dioxolan-2-yl)-4,6-dinitrobenzo[d]isoxazole in the crystal, and quantum-chemical calculations of the isolated molecule demonstrated that the differences in the reactivity of the nitro groups at positions 4 and 6 are not associated with the electronic structure of the molecule but are, apparently, attributed to the properties of the corresponding ipso-σ complexes.

Korlyukov A.A. , Starosotnikov A.M. , Lyssenko K.A. , Shevelev S.A. , Antipin M.Y.
X-ray diffraction and quantum-chemical study of 3-(1,3-dioxolan-2-yl)-4,6-dinitrobenzo[d]isoxazole
Russian Chemical Bulletin. 2003. V.52. N10. P.2095-2099. DOI: 10.1023/b:rucb.0000011863.21741.90 WOS Scopus OpenAlex

Web of science:	WOS:000188261500002
Scopus:	2-s2.0-3543137809
OpenAlex:	W2056882640

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