Crystal structure of 2-(4-methylanilinomethyl)-6-methoxyphenol perchlorate monohydrate, [C15H16NO2]ClO4 ·H2O

Abstract

C 15 H 18 ClNO 7 ,triclinic, P1 (no.2), a =7.7572(3)Å, b =9.5138(4) Å, c =11.5187(5) Å, a =90.286(3)°, b =92.226(3)°, g =101.786(2)°,V =831.5 Å 3 , Z =2, R gt(F) =0.076, wRref(F 2 ) =0.279, T =296 K. Source of materialCd(ClO 4)2 (1 mmol), 2-(4-methylanilinomethyl)-6-methoxyphenol (2 mmol) were dissolved in ethanol (30 ml) solution and the mixture was stirred for 8hatroom temperature.The yellow solution was kept aside, and the yellow crystal was obtained after several weeks (yield, 35 %). Experimental detailsThe Hatoms bonded to Cand Natoms were positioned geometrically and refined using ariding model [d(C aromatic -H) =0.93 Å, d(C aliphatic -H) =0.97(2) Å and d(N-H) =0.86 Å, U iso (H) =1.2 U eq (C)].The Hatoms bonded to Oatoms were located in adifference Fourier maps and refined with O-Hdistance restraints of 0.85(2) Å and U iso(H) =1.5 Ueq(O).The high Rvalues are caused by the four oxygen atoms in the perchlorate ion which vibrate violently and led to disorder.