6533b82dfe1ef96bd1290acb
RESEARCH PRODUCT
(E)-2-{[1-(3,11-Dimethyl-4-methylene-10-oxo-1-phenyl-4,5,10,11-tetrahydro-1H-benzo[b]pyrazolo[3,4-f][1,5]diazocin-5-yl)ethylidene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
Fiorella MeneghettiBenedetta Maggiosubject
Steric effectsCrystallographyHydrogen bondCyclohexane conformationGeneral ChemistryDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)Settore CHIM/08 - Chimica FarmaceuticaOrganic PapersMedicinal chemistrychemistry.chemical_compoundchemistryDiazocine derivative X-ray structureQD901-999General Materials ScienceDiazoEne reactiondescription
The central eight-membered ring of the title compound, C40H36N8O2, deviates from the ideal boat conformation because the bond between the exo-ethylene group and the adjacent N atom is twisted by 60.0 (4)° due to steric hindrance. Its adjacent benzene and pyrazole rings are oriented almost perpendicular to each other, making a dihedral angle of 85.8 (3)°. In the crystal, the molecules are linked by C(ar)—H...O hydrogen bonds, generating a three-dimensional network.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-09-01 | Acta Crystallographica Section E Structure Reports Online |