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

Yu-Long Li; Hong-Shun Sun; Hong Jiang; Yu-Liang Chen; Yang-Feng Chen

doi:10.1107/S2056989017015730

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

Acta Crystallogr E Crystallogr Commun. 2017 Nov 3;73(Pt 12):1817-1819. doi: 10.1107/S2056989017015730. eCollection 2017 Dec 1.

Authors

Yu-Long Li¹, Hong-Shun Sun¹, Hong Jiang¹, Yu-Liang Chen¹, Yang-Feng Chen¹

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, C₂₉H₂₄Cl₂N₂O₄, the mean planes of the two indole ring systems (r.m.s. deviations = 0.1249 and 0.0075 Å) are approximately perpendic-ular to one another, with a dihedral angle of 80.9 (5)° between them. The benzene ring is inclined to the mean planes of the two indole ring systems by 76.1 (3) and 78.3 (4)°. Weak intra-molecular C-H⋯π inter-actions affect the mol-ecular conformation. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers which are further linked into supra-molecular chains by N-H⋯O hydrogen bonds and short Cl-Cl contacts.

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 .