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2-{4-[(E)-2,3-Diiodoallyl]-7-fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl}-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione

✍ Scribed by Pang, Huai-Lin ;Huang, Yin ;Yin, Du-Lin ;Yang, Hai ;Li, Wen-An

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 899 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536807020077

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✦ Synopsis

In the title compound, C 19 H 15 FI 2 N 2 O 4 , the cyclohexene and morpholinone rings adopt half-chair conformations. The dihedral angle between the benzene and pyrrole rings is 69.0 (2) . The crystal packing is stabilized by C-HÁ Á ÁO and C-HÁ Á ÁF hydrogen bonds.

Related literature

For general background, see: Nair et al. (2003); Schallner et al. (2002). Experimental Crystal data C 19 H 15 FI 2 N 2 O 4 M r = 608.13 Monoclinic, C2=c a = 23.118 (4) A b = 13.926 (2) A c = 14.975 (3) A = 123.266 (2) V = 4030.9 (12) A ˚3 Z = 8 Mo K radiation = 3.16 mm À1 T = 294 (2) K 0.24 Â 0.20 Â 0.14 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.732, T max = 1.000 (expected range = 0.471-0.643) 11268 measured reflections 4138 independent reflections 3361 reflections with I > 2(I) R int = 0.026 Refinement R[F 2 > 2(F 2 )] = 0.030 wR(F 2 ) = 0.079 S = 1.01 4138 reflections

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