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C20H19NO7, triclinic, P1 (no. 2), a = 8.767(1) Å, b = 10.061(1) Å, c = 11.194(2) Å, * = 72.845(2)°, ) = 82.103(3)°, & = 84.848(2)°, V = 933.2 Å, Z = 2, Rgt(F) = 0.051, wRref(F) = 0.154, T = 293 K. Source of material To the mixture of 2-cyanophenol (0.55 g) and methyl 2-(1bromo-2-methoxy-2-oxoethyl)-4,5-dimethoxybenzoate (1.60 g) in acetonitrile (30 mL) was added triethylamine (3.5 mL) and the reaction mixture was refluxed under argon for 4 h [1]. The reaction mixture was cooled to room temperature and was poured on ice. The solid separated out was filtered, acidified with hydrochloric acid, and extracted with ether. The ether layer dried over anhydrous sodium sulfate, filtered, and concentrated to give a rough solid. The crude material was purified by chromatography with hexanes/EtOAc (2:1, v/v) as colourless crystals (1.05 g). Experimental details The H atoms were placed geometrically contrained using an riding model with d(C—H) = 0.93 0.98 Å and Uiso(H) = 1.2 1.5 Ueq(parent atom). Discussion The isoquinoline derivatives can be used to treat or prevent a variety of conditions and diseases,such as an inflammatory disease or a reperfusion disease [2]. The title compound is one of important intermediates of benzofuroisoquinoline. In the title molecule, the bond lengths and angles are within normal ranges. The torsion angles C7–O3–C14–C15 = –9.8(3)°, C5–C6–C7–O3 = –3.1(2)°, C14–O3–C7–C8 = 85.9(2)°, C1–C6– C7–C8 = –66.5(2)°. The aromatic rings (C1/C2/C3/C4/C5/C6) and (C14/C15/C16/C17/C18/C19) are not co-planar with a dihedral angle of 26.20°. Z. Kristallogr. NCS 225 (2010) 439-440 / DOI 10.1524/ncrs.2010.0193 439 © by Oldenbourg Wissenschaftsverlag, München Crystal: colorless prism, size 0.237 × 0.311 × 0.408 mm Wavelength: Mo K* radiation (0.71073 Å) -: 1.05 cm−1 Diffractometer, scan mode: Bruker SMART CCD, #/% 2+max: 51.98° N(hkl)measured, N(hkl)unique: 5149, 3609 Criterion for Iobs, N(hkl)gt: Iobs > 2 ((Iobs), 2602 N(param)refined: 258 Programs: SHELXS-97, SHELXL-97, SHELXTL [3] Table 1. Data collection and handling. H(2) 2i 0.4194 0.7785 0.0563 0.057 H(5) 2i 0.6057 0.3275 0.2203 0.053 H(7) 2i 0.2236 0.3308 0.2538 0.052 H(9A) 2i 0.1715 0.4944 0.5901 0.107 H(9B) 2i 0.3410 0.5197 0.6046 0.107 H(9C) 2i 0.2820 0.3683 0.6506 0.107 H(11A) 2i −0.0677 0.7533 0.1158 0.111 H(11B) 2i −0.0192 0.9023 0.1076 0.111 H(11C) 2i −0.0358 0.7874 0.2377 0.111 H(12A) 2i 0.5874 0.9115 −0.0847 0.104 H(12B) 2i 0.7594 0.9410 −0.0825 0.104 H(12C) 2i 0.6459 0.9082 0.0424 0.104 H(13A) 2i 0.8749 0.3401 0.2231 0.101 H(13B) 2i 0.9916 0.3516 0.1016 0.101 H(13C) 2i 0.8322 0.2864 0.1146 0.101 H(15) 2i 0.1064 0.1437 0.3602 0.064 H(16) 2i 0.0191 −0.0747 0.3954 0.074 H(17) 2i 0.1883 −0.2649 0.4113 0.086 H(18) 2i 0.4495 −0.2360 0.3806 0.086 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site x y z Uiso

Crystal structure of methyl 2-(1-(2-cyanophenoxy)-2-methoxy-2- oxoethyl)-4,5-dimethoxybenzoate, C 20 H 19 NO 7