PACKING ANALYSIS OF RACKET-LIKE MOLECULES - C6H5MX (M=METAL, X=CL, BR, I) - CRYSTAL-STRUCTURE DETERMINATION OF MICROCRYSTALLINE C6H5HGCL BY XRD

被引:4
作者
FAYOS, J [1 ]
ARTIOLI, G [1 ]
TORRES, R [1 ]
机构
[1] UNIV MODENA,IST MINERAL & PETROL,I-41100 MODENA,ITALY
来源
JOURNAL OF CRYSTALLOGRAPHIC AND SPECTROSCOPIC RESEARCH | 1993年 / 23卷 / 07期
关键词
D O I
10.1007/BF01228771
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
Relationships between molecular shape and its crystal packing are studied. The XRD crystal structure of macrocrystals and microcrystals Of C6H5HgX, and their VDW packing analysis, suggest two isoenergetic packing models for racket-like molecules. One of them favoring the crystal growth, and the other more frequent forming microcrystalline aggregates.
引用
收藏
页码:595 / 600
页数:6
相关论文
共 7 条
[1]   CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTER - COMPUTER-BASED SEARCH, RETRIEVAL, ANALYSIS AND DISPLAY OF INFORMATION [J].
ALLEN, FH ;
BELLARD, S ;
BRICE, MD ;
CARTWRIGHT, BA ;
DOUBLEDAY, A ;
HIGGS, H ;
HUMMELINK, T ;
HUMMELINKPETERS, BG ;
KENNARD, O ;
MOTHERWELL, WDS ;
RODGERS, JR ;
WATSON, DG .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (OCT) :2331-2339
[2]   CRYSTAL STRUCTURE OF MONOCHLOROBENZENE AT 393 K AND 14.2 KBARS - REFINEMENT BY RIGID GROUP [J].
ANDRE, D ;
FOURME, R ;
RENAUD, M .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1971, B 27 (DEC15) :2371-&
[3]  
CASCARANO G, 1989, PROGRAM SIRPOW
[4]  
LARSON AC, 1988, LAUR89748
[5]  
PAKHOMOV VI, 1963, ZH STRUKT KHIM, V4, P594
[6]   UNIT-CELL REFINEMENT FROM POWDER DIFFRACTION SCANS [J].
PAWLEY, GS .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1981, 14 (DEC) :357-361
[7]  
1991, MOL MODELLING PROGRA