(R)-Dimethyl [(2-chlorophenyl)hydroxymethyl]phosphonate

M. Nawaz Tahir, Nurcan Acar, Hamza Yilmaz, Muhammad Danish, Dinçer Ülkü
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 295 K; mean (C-C) = 0.006 Å; R factor = 0.039; wR factor = 0.113; data-to-parameter ratio = 9.6. In the crystal structure of the title compound, C 9 H 12 ClO 4 P, the distorted tetrahedral geometry around the P atom consists of three phosphonate O atoms and one C atom of the benzyl group. The bond angles around phosphorus are in the range 101.76 (15) -116.18 (17) . The P-O single-bond lengths are nearly equal [1.569 (3) Å ], while the P O
more » ... le the P O double-bond length is 1.469 (3) Å . There exists strong intermolecular hydrogen bonding between the hydroxy group and an O atom of the phosphonate group of a symmetry-related molecule. Owing to intermolecular hydrogen bonding, a one-dimensional polymeric network is formed, extending along the crystallographic b axis. Related literature For related literature, see: Fang et al. Experimental Crystal data C 9 H 12 ClO 4 P M r = 250.61 Orthorhombic, P2 1 2 1 2 1 a = 7.5670 (12) Å b = 7.9230 (13) Å c = 19.0420 (12) Å V = 1141.6 (3) Å 3 Z = 4 Mo K radiation = 0.47 mm À1 T = 295 K 0.25 Â 0.2 Â 0.15 mm Data collection Enraf-Nonius CAD-4 diffractometer Absorption correction: empirical (using intensity measurements) via scans (MolEN; Fair, 1990) T min = 0.885, T max = 0.954 1361 measured reflections 1314 independent reflections 1119 reflections with I > 2(I) R int = 0.012 3 standard reflections frequency: 120 min intensity decay: À2.5%
doi:10.1107/s1600536807039499 fatcat:xszqus5s2vblrg5ajvhnad7vt4