Allyl 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 = 17.7; disorder in main residue; meanω(C - C) = 0.003 A °; Rfactor = 0.045; single-crystal X-ray study; T = 293 K; wRfactor = 0.127;

D O I：

10.1107/S1600536813018904

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C20H18O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25 (2)degrees with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43 (12) and 6.20 (11)degrees with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219 (2) angstrom from its mean plane. In the crystal, molecules are linked via C-H center dot center dot center dot O hydrogen bonds, forming chains along [010] and enclosing R-2(2) (9) loops. They stack along the a axis with pi - pi interactions involving the 4H-chromene units [centroidcentroid distances of 3.6389 (13) and 3.6555 (13) angstrom]. The terminal CH2=CH- atoms of the allyl acetate group are disordered over two sets of sites with a refined occupancy ratio of 0.717 ( 6): 0.283 (6).

引用

页码：O1257 / +

页数：10

共 13 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].