Synthesis by deamination reaction and crystal structure at 120 K of (16 Z,19 E)-18-oxo- N -(pyridin-2-yl)-6,7,9,10-tetra­hydro-18 H -dibenzo[ h, o ][1,4,7]trioxa­cyclo­hexa­decine-17-carboxamide

Wodajo, A.T.; Tran, T.T.; Truong, H.H.; Tskhovrebov, A.G.; Le T, D.; Khrustalev, V.N.; Le T, A.

Авторы: Wodajo A.T., Tran T.T.V, Truong H.H., Tskhovrebov A.G., Le T D., Khrustalev V.N., Le T A.
Журнал: Acta Crystallographica Section E Crystallographic Communications
Том: 76
Год издания: 2020
Издательство: International Union of Crystallography
Местоположение издательства: United Kingdom
Первая страница: 1454
Последняя страница: 1457
DOI: 10.1107/S2056989020010968
Аннотация: The title compound, C 27 H 24 N 2 O 5, is a product of the deamination reaction from aza-14-crown-4 ether containing the γ-piperidone subunit. The title molecule contains a 16-membered macrocycle with the conformation of the C - O - C - C - O - C - C - O - C polyether chain being t-g (-) -t-t-g (+) -t (t = trans, 180°; g = gauche, ±60°). The dihedral angle between the planes of the benzene rings fused to the aza-14-crown-4-ether moiety is 31.11 (14)°. The cavity size inside the macrocycle is 4.72 Å. The macrocycle is significantly flattened as a result of the extended conjugated system. Steric repulsion between the pyridylcarboxamide fragment and the benzene ring results in a slight deviation of macrocycle from planarity. The structure also features intramolecular hydrogen bonding, which results in a deviation of the angle between the planes of amide and pyridyl groups from planarity: this angle is 16.32 (18)°. In the crystal, the molecules are linked into infinite zigzag chains via intermolecular C - H⋯π contacts. The chains are bound into layers parallel to (100) by weak intermolecular C - H⋯O hydrogen bonds. © 2020 International Union of Crystallography. All rights reserved.
Добавил в систему: Цховребов Александр Георгиевич

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Synthesis by deamination reaction and crystal structure at 120 K of (16 Z,19 E)-18-oxo- N -(pyridin-2-yl)-6,7,9,10-tetra­hydro-18 H -dibenzo[ h, o ][1,4,7]trioxa­cyclo­hexa­decine-17-carboxamideстатья

Synthesis by deamination reaction and crystal structure at 120 K of (16 Z,19 E)-18-oxo- N -(pyridin-2-yl)-6,7,9,10-tetrahydro-18 H -dibenzo[ h, o ][1,4,7]trioxacyclohexadecine-17-carboxamideстатья