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3 results on '"dibenzo-16-crown-3"'

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

Author

Ayalew T. Wodajo, Thi Thanh Van Tran, Hong Hieu Truong, Alexander G. Tskhovrebov, The Duan Le, Victor N. Khrustalev, and Tuan Anh Le

Subjects
deamination reaction, aza-crown ether, dibenzo-16-crown-3, crystal structure, γ-piperidone, hydrogen bonds, c—h...π contacts, Crystallography, QD901-999
Abstract

The title compound, C27H24N2O5, 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.

Published
2020
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2. Synthesis by deamination reaction and crystal structure at 120 K of (16Z,19E)-18-oxo-N-(pyridin-2-yl)-6,7,9,10-tetrahydro-18H-dibenzo[h,o][1,4,7]-trioxacyclohexadecine-17-carboxamide.

Author

Wodajo, Ayalew T., Thi Thanh Van Tran, Hong Hieu Truong, Tskhovrebov, Alexander G., The Duan Le, Khrustalev, Victor N., and Tuan Anh Le

Subjects
DEAMINATION, CRYSTAL structure, DIHEDRAL angles, AMIDES, HYDROGEN bonding, POLYETHERS
Abstract

The title compound, C27H24N2O5, 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—Hπ contacts. The chains are bound into layers parallel to (100) by weak inter­molecular C—HO hydrogen bonds. [ABSTRACT FROM AUTHOR]

Published
2020
Full Text
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3. Synthesis by deamination reaction and crystal structure at 120 K of (16Z,19E)-18-oxo-N-(pyridin-2-yl)-6,7,9,10-tetra­hydro-18H-dibenzo[h,o][1,4,7]trioxa­cyclo­hexa­decine-17-carboxamide

Author

T.T.V. Tran, Victor N. Khrustalev, Hong Hieu Truong, T.D. Le, A.T. Wodajo, Tuan Anh Le, and Alexander G. Tskhovrebov

Subjects
crystal structure, medicine.drug_class, Carboxamide, Ether, Crystal structure, Dihedral angle, dibenzo-16-crown-3, Ring (chemistry), Research Communications, C—H⋯π contacts, chemistry.chemical_compound, Amide, medicine, deamination reaction, Moiety, General Materials Science, aza-crown ether, Crystallography, c—h...π contacts, Chemistry, Hydrogen bond, General Chemistry, Condensed Matter Physics, QD901-999, hydrogen bonds, γ-piperidone
Abstract

The new title aza-crown ether has been synthesized by a deamination reaction and its crystal structure has been determined at 120 K. 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 title compound, C27H24N2O5, 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.

Published
2020

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