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

Xin-Hua Lu; Hong-Shun Sun; Yuan Cai; Lu-Lu Chen; Yang-Feng Chen

doi:10.1107/S2056989017015523

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

Acta Crystallogr E Crystallogr Commun. 2017 Oct 31;73(Pt 11):1790-1792. doi: 10.1107/S2056989017015523. eCollection 2017 Nov 1.

Authors

Xin-Hua Lu¹, Hong-Shun Sun¹, Yuan Cai¹, Lu-Lu 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, C₂₉H₂₅FN₂O₄, the mean planes of the two indole ring systems (r.m.s. deviations = 0.1392 and 0.0115 Å) are approximately perpendicular to one another, subtending a dihedral angle of 86.0 (5)°; the benzene ring is twisted with respect to the mean planes of the two indole ring systems by 83.3 (2) and 88.1 (4)°, respectively. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the [101] direction.

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. training program of Students innovation and entrepreneurship in Jiangsu Province grant 201612920001Y, 201712920001Y. Top-notch Academic Programs Project of Jiangsu Higher Education Institutions grant PPZY2015B179. Qing Lan Project of Jiangsu Province grant .