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(R)-Prop-2-ynyl 2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate

✍ Scribed by Liu, Xiao-Geng ;Jia, Hong-Sheng ;Chen, You-Sheng ;Ma, Hong-Fei


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

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✦ Synopsis


The asymmetric unit of the title compound, C 17 H 13 ClFNO 4 , contains two independent molecules. The dihedral angles between the pyridine and benzene rings are 83.3 (2) and 69.7 (1) in the two molecules. In the crystal structure, intermolecular C-HÁ Á ÁN and C-HÁ Á ÁF hydrogen bonds link the molecules into chains.

Related literature

For general background, see: Chen et al. (2005); Allen et al. (1987). For related literature, see: Chen et al. (2005).

Experimental Crystal data C 17 H 13 ClFNO 4 M r = 349.73 Monoclinic, C2 a = 37.867 (3) A b = 8.1682 (11) A c = 10.9666 (14) A ˚ = 93.45 (3) V = 3385.8 (7) A ˚3 Z = 8 Mo K radiation = 0.26 mm À1 T = 298 (2) K 0.40 Â 0.30 Â 0.10 mm Data collection Enraf-Nonius CAD-4 diffractometer Absorption correction: scan (North et al., 1968) T min = 0.905, T max = 0.975 3550 measured reflections 3550 independent reflections 2149 reflections with I > 2(I) R int = 0.000 3 standard reflections every 200 reflections intensity decay: none Refinement R[F 2 > 2(F 2 )] = 0.060 wR(F 2 ) = 0.170 S = 1.01 3550 reflections 433 parameters 1 restraint H-atom parameters constrained Á max = 0.20 e A ˚À3 Á min = À0.21 e A ˚À3 Absolute structure: Flack (1983), with 57 Friedel pairs Flack parameter: 0.28 (17)

Table 1

Hydrogen-bond geometry (A ˚, ).


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