Crystal structure of 7′-(4-chloroohenyl)-2"-(4-methoxyphenyl)-7′,7a′,7",8"-tetranydro-1′H,3′H,5"H-disoiro[indoline-3,5′-pyrrolo[1,2-c]-thiazole-6′,6"-quinoline]-2,5"-dione and an unknown solvent

被引:0
作者
Vishnupriya, R. [1 ]
Venkateshan, M. [1 ]
Suresh, J. [1 ]
Sumesh, R., V [2 ]
Kumar, R. Ranjith [2 ]
Lakshman, P. L. Nilantha [3 ]
机构
[1] Madura Coll, Dept Phys, Madurai 625011, Tamil Nadu, India
[2] Madurai Kamaraj Univ, Sch Chem, Dept Organ Chem, Madurai 625021, Tamil Nadu, India
[3] Univ Ruhuna, Dept Food Sci & Technol, Mapalana 81100, Kamburupitiya, Sri Lanka
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷
关键词
crystal structure; spiro-pyrrol idine; indoline; pyrrolothiazole; isoquinoline; hydrogen bonding; supramolecular framework; SQUEEZE; IN-VITRO;
D O I
10.1107/S2056989019000112
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title compound, C34H28ClN3O3S, contains two independent molecules (A and B). They differ essentially in the orientation of the 4-methoxyphenyl ring with respect to the pyridine ring of the quinoline moiety; this dihedral angle is 37.01 (18)degrees in molecule A but only 7.06 (17)degrees in molecule B. In both molecules, the cyclohexanone ring of the isoquinoline unit has a half-chair conformation. In the pyrrolothiazole ring system, the pyrrolo ring in molecule A has a twisted conformation on the N-C fused bond and an envelope conformation in molecule B with the N atom as the flap. The thiazole rings of both molecules have twisted conformations on the N-C fused bond. In the crystal, the A molecules are linked by pairs of N-H center dot center dot center dot O hydrogen bonds, forming inversion dimers with an R-2(2)(8) ring motif. These dimers are linked to the B molecules by an N-H center dot center dot center dot N hydrogen bond and a series of C-H center dot center dot center dot O hydrogen bonds, forming layers lying parallel to the (101) plane. The layers are linked by C-H center dot center dot center dot pi interactions and offset pi-pi interactions [intercentroid distance = 3.427 (1) angstrom], forming a supramolecular framework. The contribution to the scattering from a region of highly disordered solvent molecules 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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页码:189 / +
页数:19
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