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3-(4-Fluorophenyl)-2-morpholinoquinazolin-4(3H)-one

✍ Scribed by Cai, Chang-Quan ;Luo, Hong ;He, Ping ;Yang, Zhen-Zhen

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
765 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 18 H 16 FN 3 O 2 , was obtained via the aza-Wittig reaction. The quinazolinone ring system is almost planar and makes a dihedral angle of 67.09 (8) with the substituent benzene ring. The structure is stabilized by a weak C-HÁ Á ÁO hydrogen bond and C-HÁ Á Á interactions.

Related literature

Biological and pharmaceutical activities have been described by Shiba et al. (1997) and the preparation of potentially active heterocycles has been described by Ding et al. (2000). For ringpuckering analysis, see Cremer & Pople (1975).

Experimental

Crystal data

C 18 H 16 FN 3 O 2 M r = 325.34 Tetragonal, I4 1 =a a = 22.9526 (7) A ˚c = 12.7318 (7) A V = 6707.4 (5) A ˚3 Z = 16 Mo K radiation = 0.09 mm À1 T = 291 (2) K 0.30 Â 0.20 Â 0.20 mm Data collection Bruker SMART 4K CCD areadetector diffractometer Absorption correction: none 37145 measured reflections 3665 independent reflections 3033 reflections with I > 2(I) R int = 0.081 Refinement R[F 2 > 2(F 2 )] = 0.059 wR(F 2 ) = 0.158 S = 1.06 3665 reflections

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✍ Abadleh, Mohammed ;Peifer, Christian ;Kinkel, Katrin ;Schollmeyer, Dieter ;Laufe 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 264 KB

The crystal structure of the title compound, C~17~H~15~FN~2~O~2~, was determined as part of a study of the biological activity of pyridine-substituted isoxazole derivatives as mitogen-activated protein kinase (MAPK) inhibitors. In the crystal structure of the title compound, the compound exists in t