4-Methyl-3-(2-phenoxyacetyl)-5-phenyl-1,3,4-oxadiazinan-2-one

被引:5
作者
Zukerman-Schpector, Julio [1 ]
Madureira, Lucas Sousa [1 ]
Rodrigues, Alessandro [2 ]
Vinhato, Elisangela [2 ]
Olivato, Paulo R. [2 ]
机构
[1] Univ Fed Sao Carlos, Lab Cristalog Estereodinam & Modelagem Mol, Dept Quim, BR-13565905 Sao Carlos, SP, Brazil
[2] Univ Sao Paulo, Inst Quim, Sao Paulo, Brazil
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2009年 / 65卷
基金
巴西圣保罗研究基金会;
关键词
(5R)-4-METHYL-5-PHENYL-1,3,4-OXADIAZINAN-2-ONE;
D O I
10.1107/S1600536809020285
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The 1,3,4-oxadiazinane ring in the title compound, C(18)H(18)N(2)O(4), is in a twisted boat conformation. The two carbonyl groups are orientated towards the same side of the molecule. The dihedral angle between the planes of the benzene rings is 76.6 (3)degrees. Molecules are sustained in the three-dimensional structure by a combination of C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi-pi [shortest centroid-centroid distance = 3.672 (6) angstrom] interactions.
引用
收藏
页码:01468 / U1560
页数:9
相关论文
共 12 条
  • [1] SIR97:: a new tool for crystal structure determination and refinement
    Altomare, A
    Burla, MC
    Camalli, M
    Cascarano, GL
    Giacovazzo, C
    Guagliardi, A
    Moliterni, AGG
    Polidori, G
    Spagna, R
    [J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1999, 32 : 115 - 119
  • [2] [Anonymous], 1995, J Appl Crystallogr, DOI DOI 10.1107/S0021889895007138
  • [3] *CHEMAXON KFT, 2008, MARVINSKETCH
  • [4] GENERAL DEFINITION OF RING PUCKERING COORDINATES
    CREMER, D
    POPLE, JA
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1354 - 1358
  • [5] Enraf-Nonius, 1994, CAD 4 EXPRESS
  • [6] Farrugia L. J., 1999, J. Appl. Crystallogr, V32, P837, DOI [DOI 10.1107/S0021889812029111, DOI 10.1107/S0021889899006020]
  • [7] Farrujia LJ., 1997, J APPL CRYSTALLOGR, V30, P565, DOI [10.1107/S0021889897003117, DOI 10.1107/S0021889897003117]
  • [8] Harms K., 1995, XCAD4
  • [9] CONFORMA: A program for determining ring conformations and puckering coordinates
    Iulek, J
    ZukermanSchpector, J
    [J]. QUIMICA NOVA, 1997, 20 (04): : 433 - 434
  • [10] Self-association and stereochemistry study of (5R)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one
    Rodrigues, A
    Olivato, PR
    Zukerman-Schpector, J
    Rittner, R
    [J]. ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2006, 221 (03): : 226 - 230