Conformational Analysis of Seven Membered Nitrogen Heterocycles Employing Molecular Modeling. Part II: 1-(ONitrophenyl)-2-Phenyl-1h-4,5,6,7-Tetrahydro-1,3-Diazepine
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چکیده
منابع مشابه
Conformational Analysis in 18-Membered Macrolactones Based on Molecular Modeling
Conformational analysis of 18-ring membered macrolactones has been carried out using molecular mechanics calculations and molecular dynamics. A high conformational flexibility of macrolactones was obtained, and an important stereoselectivity was observed for the complexed macrolides. For 18d macrolactone, which was presented by a most favored conformer with 20.1% without complex, it was populat...
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Dynamic kinetic asymmetric amination of branched allylic acetimidates has been applied to the synthesis of 2-alkyl-dihydrobenzoazepin-5-ones. These seven-membered-ring aza ketones are prepared in good yield with high enantiomeric excess by rhodium-catalyzed allylic substitution with 2-amino aryl aldehydes followed by intramolecular olefin hydroacylation of the resulting alkenals. This two-step ...
متن کامل2-(4-Methoxyphenyl)-1-phenyl-1H-benzimidazole
In the title compound, C(20)H(16)N(2)O, the 1H-benzimidazole ring forms dihedral angles of 48.00 (6) and 64.48 (6)°, respectively with the benzene and phenyl rings, which are inclined to one another by 58.51 (7)°. In the crystal, weak C-H⋯π inter-actions are the only inter-molecular inter-actions present.
متن کامل1-Phenyl-2-p-tolyl-1H-benzimidazole
In the title compound, C20H16N2, the benzimidazole ring system forms dihedral angles of 28.50 (7) and 72.44 (7)° with the tolyl and phenyl rings, respectively. In the crystal, mol-ecules are linked into chains along the a-axis direction by weak C-H⋯N inter-actions. The crystal structure also features C-H⋯π inter-actions.
متن کامل1-Benzyl-2-phenyl-1H-benzimidazole
The title compound, C(20)H(16)N(2), has been synthesized by the reaction of benzaldehyde with o-phenyl-endiamine and l-proline. The benzimidazole group makes a dihedral angle of 29.04 (1)° with the attached benzene ring, and is approximately perpendicular to the plane of the benzyl group [dihedral angle = 88.9 (1)°] The crystal packing exhibits no unusually short inter-molecular contacts.
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ژورنال
عنوان ژورنال: Molecules
سال: 2000
ISSN: 1420-3049
DOI: 10.3390/50300483