Crystal structure of bis-(prop-2-yn-1-yl) 5-nitro-isophthalate.

K S Ezhilarasi,G Usha,Sivasamy Selvarani,B K Revathi,Perumal Rajakumar

doi:10.1107/s2056989015009846

K S Ezhilarasi, G Usha + Show 3 more

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https://doi.org/10.1107/s2056989015009846

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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 R 2 2(18) ring motif. The dimers are linked by further C—H⋯O hydrogen bonds, forming sheets lying parallel to (100).

Highlights

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-1yl 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

Summary

Introduction

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. PG and Research Department of Physics, Queen Mary’s College, Chennai-4, Tamilnadu, India, and bDepartment of Organic Chemistry, University of Madras, Guindy Campus, Chennai-25, India. Orthorhombic, Pccn a = 6.679 (5) Å

Results

Conclusion