Crystal structure of 2-(1,3-dioxoindan-2-yl)iso-quinoline-1,3,4-trione.

Published Date

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o6-7. doi: 10.1107/S2056989014025997. eCollection 2015.

Title 

Crystal structure of 2-(1,3-dioxoindan-2-yl)iso-quinoline-1,3,4-trione.

Author 

Ghalib RM¹, Chidan Kumar CS², Hashim R³, Sulaiman O³, Fun HK⁴.

Abstract

In the title iso-quinoline-1,3,4-trione derivative, C18H9NO5, the five-membered ring of the indane fragment adopts an envelope conformation with the nitro-gen-substituted C atom being the flap. The planes of the indane benzene ring and the iso-quinoline-1,3,4-trione ring make a dihedral angle of 82.06 (6)°. In the crystal, mol-ecules are linked into chains extending along the bc plane via C-H⋯O hydrogen-bonding inter-actions, enclosing R 2 (2)(8) and R 2 (2)(10) loops. The chains are further connected by π-π stacking inter-ations, with centroid-to-centroid distances of 3.9050 (7) Å, forming layers parallel to the b axis.

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Acta Crystallogr E Crystallogr Commun. 2015 Jan 1; 71(Pt 1): o6–o7.  Published online 2015 Jan 1. doi:  10.1107/S2056989014025997 Copyright/License ►Request permission to reuse

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Fig. 4.

Reaction scheme for the title compound.

PMC full text:

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1; 71(Pt 1): o6–o7.  Published online 2015 Jan 1. doi:  10.1107/S2056989014025997 Copyright/License ►Request permission to reuse

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Fig. 3.

Crystal packing of the title compound, showing the C–H···O hydrogen bonding interactions (Symmetry codes: x, -y + 1/2, z - 1/2; -x, y + 1/2, -z - 1/2; -x, y - 1/2, -z - 1/2) as dashed lines incorporating R22(10) loops. Other H-atoms are omited for clarity.

PMC full text:

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1; 71(Pt 1): o6–o7.  Published online 2015 Jan 1. doi:  10.1107/S2056989014025997 Copyright/License ►Request permission to reuse

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Fig. 2.

Crystal packing of the title compound, showing the C6–H6A···O2 and C7–H7A···O1 hydrogen bonding interactions (Symmetry codes: x, y, z + 1) as dashed lines incorporating R22(8) loops. Other H-atoms are omited for clarity.

PMC full text:

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1; 71(Pt 1): o6–o7.  Published online 2015 Jan 1. doi:  10.1107/S2056989014025997 Copyright/License ►Request permission to reuse

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Fig. 1.

The molecular structure of the title compound with atom labels and 50% probability displacement ellipsoids.

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http://www.ncbi.nlm.nih.gov/pubmed/25705509