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7,7-Dimethyl-2-methyl-amino-4-(4-methyl-phenyl)-3-nitro-7,8-di-hydro-4H-chromen-5(6H)-one.

ABSTRACT: In the title compound, C19H22N2O4, the six-membered cyclo-hexenone ring of the chromene unit adopts an envelope conformation, with the dimethyl-substituted C atom as the flap, while the pyran ring has a boat conformation. These two mean planes are inclined to one another by 6.65?(13)°·The benzene ring is normal to the 4H-chromene moiety mean plane, making a dihedral angle of 89.18?(5)°. The methyl-amine and nitro groups are slightly twisted from the chromene moiety mean plane, with torsion angles C-N-C-O = 1.70?(18) and O-N-C-C = 0.15?(18)°. The mol-ecular structure is characterized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of weak C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by further C-H?O hydrogen bonds, forming sheets lying parallel to (10-1).

SUBMITTER: Inglebert SA

PROVIDER: S-EPMC4051056 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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7,7-Dimethyl-2-methyl-amino-4-(4-methyl-phenyl)-3-nitro-7,8-di-hydro-4H-chromen-5(6H)-one.

Inglebert S Antony SA Kamalraja Jayabal J Sethusankar K K Perumal Paramasivam T PT

Acta crystallographica. Section E, Structure reports online 20140524 Pt 6

In the title compound, C19H22N2O4, the six-membered cyclo-hexenone ring of the chromene unit adopts an envelope conformation, with the dimethyl-substituted C atom as the flap, while the pyran ring has a boat conformation. These two mean planes are inclined to one another by 6.65 (13)°·The benzene ring is normal to the 4H-chromene moiety mean plane, making a dihedral angle of 89.18 (5)°. The methyl-amine and nitro groups are slightly twisted from the chromene moiety mean plane, with torsion angle ...[more]

PMID: 24940281

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