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1.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 2): 189-193, 2019 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-30800449

RESUMO

The asymmetric unit of the title compound, C34H28ClN3O3S, 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.

2.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 5): 660-663, 2018 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-29850086

RESUMO

In the title di-spiro compound, C32H26ClN3O2, the cyclo-hexa-none ring of the iso-quinoline unit has a distorted envelope conformation, with the methyl-ene C atom adjacent to the spiro C atom as the flap. The central 1-methyl-pyrrolidine ring has an envelope conformation with the N atom as the flap. The mean planes of the indolin-2-one ring system, the chloro-benzene ring and the iso-quinoline ring system are inclined to the mean plane of the central 1-methyl-pyrrolidine ring by 87.95 (11), 71.01 (12) and 88.81 (10)°, respectively. There are two short C-H⋯O intra-molecular contacts present. In the crystal, mol-ecules are linked via C-H⋯ O hydrogen bonds, forming chains along the a-axis direction. The NH H atom is involved in a weak N-H⋯O hydrogen bond with the same carbonyl O atom. There are no further significant inter-molecular contacts present. The largest contribution to the overall Hirshfeld surface of 52.3% is due to H-H contacts.

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