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Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri-carboxyl-ate.

ABSTRACT: In the title compound, C19H23N3O8, the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024?(2)?Å. The fused-ring system is nearly perpendicular to the three carboxyl-ate groups, with dihedral angles of 90.0?(3), 83.8?(1) and 80.4?(1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425?(17):0.575?(17) and 0.302?(15):0.698?(15). In the crystal, mol-ecules are linked by pairs of C-H?N hydrogen bonds, forming inversion dimers. The dimers are further linked by C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Boulhaoua M

PROVIDER: S-EPMC4647391 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri-carboxyl-ate.

Boulhaoua Mohammed M Benchidmi Mohammed M Essassi El Mokhtar el M Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Crystallographic communications 20150926 Pt 10

In the title compound, C19H23N3O8, the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024 (2) Å. The fused-ring system is nearly perpendicular to the three carboxyl-ate groups, with dihedral angles of 90.0 (3), 83.8 (1) and 80.4 (1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425 (17):0.575 (17) and 0.302 (15):0.698 (15). In the crystal, mol-ecules ...[more]

PMID: 26594476

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