Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate

Abstract

The whole molecule of the title compound, C14H9NO6, is generated by twofold rotation symmetry; the twofold axis bisects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42 (9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13 (2)° and to each other by 24 (3)°; one directed above the plane of the benzene ring and the other below. In the crystal, molecules are linked via pairs of C—H...O hydrogen bonds, forming inversion dimers with an R22(18) ring motif. The dimers are linked by further C—H...O hydrogen bonds, forming sheets lying parallel to (100).

Keywords

• crystal structure
• 5-nitroisophthalate
• prop-2-yn-1-yl
• twofold rotation symmetry
• C—H...O hydrogen bonding