FLUKICIDES .5. CRYSTAL AND MOLECULAR-STRUCTURE OF 3,5-DIIODO-3',5'-DICHLOROSALICYLANILIDE

被引:5
作者
SINDT, AC [1 ]
MACKAY, MF [1 ]
机构
[1] LA TROBE UNIV,DEPT PHYS CHEM,BUNDOORA,VIC 3083,AUSTRALIA
来源
JOURNAL OF CRYSTAL AND MOLECULAR STRUCTURE | 1979年 / 9卷 / 05期
关键词
D O I
10.1007/BF01320841
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
Triclinic crystals of C13H7Cl2I2NO2 belong to the space group P-1 with a = 7.413(4), b = 8.742(8), c = 13.622(7) Å, α = 109.44(5), β = 106.32(5), γ = 66.95(4) °, and Z = 2. The structure was solved by the heavy-atom method from diffractometer data measured with Mo Kα radiation. Refinement with anisotropic temperature factors given to the nonhydrogen atoms yielded a reliability index of 0.034 for the 2545 observed terms. The molecule is approximately planar with the nonhydrogen atoms coplanar within 0.13 Å. The molecules pack with the iodo- and chloro-substituted benzene rings alternately stacked to give a maximum overlap of the π -electron systems. © 1980 Plenum Publishing Corporation.
引用
收藏
页码:265 / 272
页数:8
相关论文
共 12 条
[1]   VAN DER WAALS VOLUMES + RADII [J].
BONDI, A .
JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (03) :441-+
[2]  
Carroll K. Johnson, 1965, ORTEP FORTRAN THERMA
[3]   RELATIVISTIC CALCULATION OF ANOMALOUS SCATTERING FACTORS FOR X-RAYS [J].
CROMER, DT ;
LIBERMAN, D .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) :1891-&
[4]   X-RAY SCATTERING FACTORS COMPUTED FROM NUMERICAL HARTREE-FOCK WAVE FUNCTIONS [J].
CROMER, DT ;
MANN, JB .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :321-&
[5]   RELATIVISTIC HARTREE-FOCK X-RAY AND ELECTRON SCATTERING FACTORS [J].
DOYLE, PA ;
TURNER, PS .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :390-&
[6]   POLAR FLATTENING - NON-SPHERICAL EFFECTIVE SHAPES OF ATOMS IN CRYSTALS [J].
NYBURG, SC .
ACTA CRYSTALLOGRAPHICA SECTION A, 1979, 35 (JUL) :641-645
[7]  
Sheldrick G M, 1976, SHELX76 PROGRAM CRYS
[8]   FLUKICIDES .2. CRYSTAL-STRUCTURES OF THE TRICLINIC AND MONOCLINIC POLYMORPHS OF 3,3',5,5',6-PENTACHLORO-2'-HYDROXYSALICYLANILIDE [J].
SINDT, AC ;
MACKAY, MF .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (SEP) :2103-2108
[9]   CRYSTAL AND MOLECULAR-STRUCTURE OF 3,5-DIIODO-3',4'-DICHLOROSALICYLANILIDE [J].
SINDT, AC ;
MACKAY, MF .
JOURNAL OF CRYSTAL AND MOLECULAR STRUCTURE, 1978, 8 (01) :17-25
[10]   FLUKICIDES .4. CRYSTAL AND MOLECULAR-STRUCTURE OF 3'-CHLORO-4'-(PARA-CHLOROPHENOXY)-3,5-DIIODOSALICYLANILIDE (RAFOXANIDE) [J].
SINDT, AC ;
MACKAY, MF .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1980, 33 (01) :203-207