(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 ˚, ).
📜 SIMILAR VOLUMES
The asymmetric unit of the title compound, C 17 H 13 ClN 2 O, contains two independent molecules with no significant difference in their structures. The molecules are non-planar. The dihedral angle between the two benzene rings is 79.20 (8) in one molecule and 79.54 (8) in the other.
The molecular structure of (I), with displacement ellipsoids drawn at the 30% probability level.
## 5-((1-[ ]-methyl iodide and the corresponding normethyl precursor. The average time of synthesis, purification, and formulation was 42 min with an average non-decay-corrected radiochemical yield of 19%. The average specific radioactivity was 359 GBq/mmol (9691 mCi/mmole) at end of synthesis (EO
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.004 A Ê R factor = 0.040 wR factor = 0.117 Data-to-parameter ratio = 13.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.