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2-(2-{[4-Oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione

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Author(s): Adel S. El-Azab | Alaa A.-M. Abdel-Aziz | Abdulrahman M. Al-Obaid | Seik Weng Ng | Edward R. T. Tiekink

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 68;
Issue: 7;
Start page: o2057;
Date: 2012;
Original page

ABSTRACT
In the title compound, C26H21N3O3S, the quinazolinyl group is essentially planar [r.m.s. deviation for the 10 non-H atoms = 0.057 Å]. The isoindoline-1,3-dione group is linked by an SCH2CH2 chain to the pyrimidinyl C atom that lies between the two N atoms. Also, the phenyl group is linked by a CH2CH2 chain at the N atom adjacent to the carbonyl group. This results in a conformation with these substituents lying to either side of the central quinazolinyl unit, with the former being approximately parallel [dihedral angle = 4.93 (7)°], and the phenyl group being inclined [dihedral angle = 71.61 (9)°] to the central quinazolinyl fused-ring system. In the crystal, molecules are consolidated into a three-dimensional architecture by C—H...O interactions, involving all three carbonyl-O atoms, and π–π interactions occurring between the pyrimidinyl and isoindole-benzene rings [inter-centroid distance = 3.5330 (13) Å].

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