Structure of Gefitinib

The crystal of the title compound, C22H24ClFN4O3, belongs to space group P1 with cell dimensions of a = 8.928(1), b = 9.717(2), c = 12.604(2)Å, α = 93.31(1), and β = 97.12(1), and γ = 101.47(1)°. The final R value is 0.053. The quinazoline and benzene rings are nearly coplanar. The conformation is m...

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Veröffentlicht in:Analytical Sciences ; X-ray Structure and Analysis Online 2004, Vol.20, pp.x173-x174
Hauptverfasser: TANAKA, Rumiko, HARAMURA, Masayuki, TANAKA, Akito, HIRAYAMA, Noriaki
Format: Artikel
Sprache:eng
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Zusammenfassung:The crystal of the title compound, C22H24ClFN4O3, belongs to space group P1 with cell dimensions of a = 8.928(1), b = 9.717(2), c = 12.604(2)Å, α = 93.31(1), and β = 97.12(1), and γ = 101.47(1)°. The final R value is 0.053. The quinazoline and benzene rings are nearly coplanar. The conformation is maintained by an intramolecular C-H…N hydrogen bond. The morpholine ring is almost perpendicular to the quinazoline ring.
ISSN:1348-2238
1348-2238
1883-3578
DOI:10.2116/analscix.20.x173