Methyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxylate

被引：0

作者：

Fatima, Zeenat ^{[1
]}

Srinivasan, Thothadri ^{[1
]}

Rao, Jonnalagadda Naga Siva ^{[2
]}

Raghunathan, Raghavachary ^{[2
]}

Velmurugan, Devadasan ^{[1
]}

机构：

[1] Univ Madras, Ctr Adv Study Crystallog & Biophys, Guindy Campus, Chennai 600025, Tamil Nadu, India

[2] Univ Madras, Dept Organ Chem, Chennai 600025, Tamil Nadu, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷

关键词：

data-to-parameter ratio = 15.5; disorder in main residue; meanω(C - C) = 0.003 A °; Rfactor = 0.041; single-crystal X-ray study; T = 293 K; wRfactor = 0.108;

D O I：

10.1107/S1600536813019648

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecule, C18H16O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04 (10)degrees between the planes, and it makes a dihedral angle of 67.97 (11)degrees with the mean plane of the dioxolane ring. The latter makes a dihedral angle of 67.15 (10)degrees with the pyran ring. The O atom attached to the pyran ring deviates by -0.009 (1) angstrom. The crystal packing features C-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional structure. The methoxycarbonyl atoms are disordered over two positions, with a refined occupancy ratio of 0.508 (18):0.492 (18).

引用

页码：O1310 / +

页数：9

共 14 条

[1] THE EFFECT OF SOME FUROCHROMENE AND BENZOCHROMENE ANALOGS OF 2,2-DIMETHYL-7-METHOXYCHROMENE (PRECOCENE-I) AND BENZOFURAN PRECURSORS ON ONCOPELTUS-FASCIATUS (DALLAS) AND LOCUSTA-MIGRATORIA-MIGRATORIOIDES (R-AND-F) [J].