Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1 H-indole-2-carboxyl-ate)

Hong-Shun Sun; Yu-Long Li; Hong Jiang; Yu-Liang Chen; Ya-Di Hu

doi:10.1107/S2056989017016929

Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1 H-indole-2-carboxyl-ate)

Acta Crystallogr E Crystallogr Commun. 2017 Nov 28;73(Pt 12):1956-1958. doi: 10.1107/S2056989017016929. eCollection 2017 Dec 1.

Authors

Hong-Shun Sun¹, Yu-Long Li¹, Hong Jiang¹, Yu-Liang Chen¹, Ya-Di Hu¹

Affiliation

¹ Targeted MRI Contrast Agents Laboratory of Jiangsu Province, Nanjing Polytechnic Institute, Geguan Road No.265 Nanjing, Nanjing 210048, People's Republic of China.

Abstract

In the title compound, C₂₉H₂₅N₃O₆, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0115 and 0.0082 Å) are approximately perpendic-ular to one another, making a dihedral angle of 89.7 (5)°; the benzene ring is twisted with respect to the two indole ring systems by 52.6 (4) and 88.2 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked into supra-molecular chains along the b-axis direction. Weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed in the crystal.

Keywords: MRI; bisindole; contrast agent; crystal structure.

Grants and funding

This work was funded by University of Natural Science Foundation in Jiangsu Province grant 17KJB320001. Top-notch Academic Programs Project of Jiangsu Higher Education Institutions grant PPZY2015B179. Training program of Students innovation and entrepreneurship in Jiangsu Province grant 201712920001Y. Qing Lan Project of Jiangsu Province grant .