Ethyl 5-oxo-4-phenyl-5,6-dihydro-4H-1,3,4-oxadiazine-2-carboxylate

被引：0

作者：

Shubakara, K. ^{[1
]}

Chandra ^{[2
]}

Srikantamurthy, N. ^{[1
]}

Mahendra, M. ^{[2
]}

Umesha, K. B. ^{[1
]}

机构：

[1] Univ Mysore, Yuvarajas Coll, Dept Chem, Mysore 570005, Karnataka, India

[2] Univ Mysore, Dept Studies Phys, Mysore 570006, Karnataka, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷

关键词：

D O I：

10.1107/S1600536814011106

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The asymmetric unit of title compound, C12H12N2O4, consists of two independent molecules. In each molecule, the oxadiazine ring has a flattened envelope conformation with the methylene C atom as the flap atom, and the ethoxycarbonyl unit is in a syn-periplanar conformation with respect to the oxadiazine ring as indicated by O-C-C=O torsion angles of 1.9 (4) and 2.5 (4)degrees. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)degrees. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen bonds and stacked in a double-column along the a-axis direction.

引用

页码：O661 / +

页数：11

共 7 条

[1]

Barbaric Monika, 2003, Acta Pharmaceutica (Zagreb), V53, P175

[2]

Bruker, 2012, SAINT

[3] (4E)-3-[(2-chloro-4,5-dihydro-1,3-thiazol-5-yl)-methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine (thiamethaxam) [J].

Chopra, D ;

Mohan, TP ;

Rao, KS ;

Rowa, TNG .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2004, 60 :O2413-O2414

[4] GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].

CREMER, D ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358

[5]

Gsell L., 1998, [No title captured], Patent No. [WO 9806710, 9806710]

[6] A short history of SHELX [J].

Sheldrick, George M. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122

[7] Structure validation in chemical crystallography [J].

Spek, Anthony L. .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155

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