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.

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 intra-molecular N-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules 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?? inter-actions 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 mol-ecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent mol-ecule(s).

SUBMITTER: Raja R 

PROVIDER: S-EPMC4555399 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature