Crystal structure of 7'-(4-chloro-phen-yl)-2''-(4-meth-oxy-phen-yl)-7',7a',7'',8''-tetra-hydro-1'H,3'H,5''H-di-spiro-[indoline-3,5'-pyrrolo-[1,2-c]thia-zole-6',6''-quinoline]-2,5''-dione and an unknown solvent

7'-(4-氯苯基)-2''-(4-甲氧基苯基)-7',7a',7'',8''-四氢-1'H,3'H,5''H-二螺-[吲哚啉-3,5'-吡咯并[1,2-c]噻唑-6',6''-喹啉]-2,5''-二酮及其未知溶剂的晶体结构

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Abstract

The asymmetric unit of the title compound, C(34)H(28)ClN(3)O(3)S, contains two independent mol-ecules (A and B). They differ essentially in the orientation of the 4-meth-oxy-phenyl ring with respect to the pyridine ring of the quinoline moiety; this dihedral angle is 37.01 (18)° in mol-ecule A but only 7.06 (17)° in mol-ecule B. In both mol-ecules, the cyclo-hexa-none ring of the iso-quinoline unit has a half-chair conformation. In the pyrrolo-thia-zole ring system, the pyrrolo ring in mol-ecule A has a twisted conformation on the N-C fused bond and an envelope conformation in mol-ecule B with the N atom as the flap. The thia-zole rings of both mol-ecules have twisted conformations on the N-C fused bond. In the crystal, the A mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. These dimers are linked to the B mol-ecules by an N-H⋯N hydrogen bond and a series of C-H⋯O hydrogen bonds, forming layers lying parallel to the (101) plane. The layers are linked by C-H⋯π inter-actions and offset π-π inter-actions [inter-centroid distance = 3.427 (1) Å], forming a supra-molecular framework. The contribution to the scattering from a region of highly disordered solvent mol-ecules was removed with the SQUEEZE routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18]. The solvent formula mass and unit-cell characteristics were not taken into account during refinement.

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