Crystal structure of 2-methyl-amino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitro-pyrano[3,2-c]chromen-5(4H)-one with an unknown solvate.

Rajamani Raja,Paramasivam T Perumal,Subramani Kandhasamy,A Subbiahpandi

doi:10.1107/s2056989015014413

Rajamani Raja, Paramasivam T Perumal + Show 2 more

Open Access

https://doi.org/10.1107/s2056989015014413

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Abstract

In the title compound, C23H16N2O7, the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 Å) are almost normal to one another with a dihedral angle of 85.59 (6)°. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intramolecular N—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R 2 2(12) ring motif. The dimers are linked by pairs of C—H⋯O hydrogen bonds, enclosing R 2 2(6) ring motifs, forming zigzag chains along [001]. The chains are linked by a second pair of C—H⋯O hydrogen bonds, forming slabs parallel to (110). Within the slabs there are C—H⋯π interactions present. A region of disordered electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

Highlights

In the title compound, C23H16N2O7, the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 A ) are almost normal to one another with a dihedral angle of 85.59 (6)
Molecules are linked by pairs of N—HÁ Á ÁO hydrogen bonds, forming inversion dimers with an R22(12) ring motif
The dimers are linked by pairs of C—HÁ Á ÁO hydrogen bonds, enclosing R22(6) ring motifs, forming zigzag chains along [001]

Summary

Introduction

ADepartment of Physics, Presidency College (Autonomous), Chennai 600 005, India, and bOrganic Chemistry Division, CSIR Central Leather Research Institute, Chennai 600 020, India. C23H16N2O7, the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 A ) are almost normal to one another with a dihedral angle of 85.59 (6). The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intramolecular N—HÁ Á ÁO hydrogen bond, which generates an S(6) ring motif.

Results

Conclusion