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3-Acetyl-2-methyl-4-(pyridin-3-yl)-1,4-di-hydro-indeno-[1,2-b]pyridin-5-one.

ABSTRACT: In the title compound, C20H16N2O2, the condensed tricyclic fragment is near to planar, with an r.m.s. deviation of 0.0531?Å. The 1,4-di-hydro-pyridine (1,4-DHP) ring adopts a slightly puckered boat-like conformation. The N and opposite C atoms deviate from the least-squares plane of the four other ring atoms by 0.039?(3) and 0.141?(3)?Å, respectively. The C=O group located at the tricyclic fragment is fixed in an s-trans orientation, while the second C=O group adopts an s-cis orientation with respect to the double bonds of the 1,4-DHP ring. The pyridine ring has a pseudo-axial orientation with respect to the 1,4-DHP ring. The dihedral angle between the tricyclic system and the pyridine ring is 77.3?(3)°. In the crystal, the pyridine N atom accepts a hydrogen bond from the N-H group of the 1,4-DHP ring. The hydrogen bonds link the mol-ecules into infinite C(8) chains along the b-axis direction.

SUBMITTER: Bisenieks I

PROVIDER: S-EPMC3648250 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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3-Acetyl-2-methyl-4-(pyridin-3-yl)-1,4-di-hydro-indeno-[1,2-b]pyridin-5-one.

Bisenieks Imants I Mishnev Anatoly A Bruvere Imanta I Vigante Brigita B Andzans Zigmars Z

Acta crystallographica. Section E, Structure reports online 20130413 Pt 5

In the title compound, C20H16N2O2, the condensed tricyclic fragment is near to planar, with an r.m.s. deviation of 0.0531 Å. The 1,4-di-hydro-pyridine (1,4-DHP) ring adopts a slightly puckered boat-like conformation. The N and opposite C atoms deviate from the least-squares plane of the four other ring atoms by 0.039 (3) and 0.141 (3) Å, respectively. The C=O group located at the tricyclic fragment is fixed in an s-trans orientation, while the second C=O group adopts an s-cis orientation with re ...[more]

PMID: 23723870

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