The pseudosymmetric crystal structure of 2-(2-naphthalenyl)-3-nitro-2H-1-benzopyran, C₃₈H₂₆N₂O₆

Abstract

C 19 H 13 NO 3 , triclinic, P1 (no. 2), a = 9.4457(6) Å, b = 11.0520 (7) CCDC no.: 1569821The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of materialThe title compound was obtained according to the literature method of preparation of 8,9-dimethoxy-2-nitro- was refluxed for 3 hr, and then THF was evaporated, the residues were directly charged on a chromatography column to give the pure product 1.42 g (80.5%). Colourless crystals were obtained by slow evaporation of mixed solution of dichloromethane and ethanol (volume 1:1) at room temperature. Experimental detailsHydrogen atoms were placed geometrically and refined using a riding model with d(C-H) = 0.93-0.98 Å, U iso (H) = 1.2 U eq (C) for CH groups. The element of pseudo symmetry in the tiltle structure is a translation along the crystallographic b direction. Generally reflections hkl with k = odd are weaker than those with k = even. All over the structure the translational pseudosymmetry fit is 86% according to the CheckCif program. DiscussionThe 3-nitrochromenes were reported to have pharmaceutically interesting properties, such as anti-breast cancer agents [5], antifungal activity [6], flavodoxin inhibitors against