CRYSTALLOGRAPHIC STUDIES ON STERICALLY AFFECTED CHEMICAL-SPECIES .2. MOLECULAR AND CRYSTAL-STRUCTURE OF 1,8-BIS(DIMETHYLAMINO)-NAPHTHALENE TETRAFLUOROBORATE - ANALYSIS OF DISTORTION OF GEOMETRY IN THE AROMATIC PART DUE TO INTRAMOLECULAR HYDROGEN-BONDING

被引:74
作者
WOZNIAK, K
KRYGOWSKI, TM
KARIUKI, B
JONES, W
GRECH, E
机构
[1] UNIV CAMBRIDGE,DEPT CHEM,CAMBRIDGE CB2 1EW,ENGLAND
[2] TECH UNIV SZCZECIN,INST FUNDAMENTAL CHEM,PL-71065 SZCZECIN,POLAND
关键词
D O I
10.1016/0022-2860(90)80501-A
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The crystal and molecular structures of 1,8-bis (dimethylamino) naphthalene tetrafluoroborate have been determined by X-ray diffraction. The compound crystallizes in the triclinic system, space group P1, with a=8.073(1), b=8.1200(1), c=12.256(1)Å, α=92.25(1)°, β=106.23(1)° and γ=79.23(1)°. The structure has been solved by direct methods and refined to R=0.06 for 2370 reflections. Strong intramolecular H-bonding causes out-of -plane deformations in the region of peri substituents and very strong in-plane deformations of the valence angles at carbons C1, C8 and C9. The H position is symmetrical and the N⋯N distance is 2.562 Å. © 1990.
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页码:111 / 118
页数:8
相关论文
共 16 条
[2]  
DASHEVSKI BG, 1982, KONFORMATIONNYI ANAL, P94
[3]   PERI INTERACTIONS - X-RAY CRYSTALLOGRAPHIC STUDY OF STRUCTURE OF 1,8-BIS(DIMETHYLAMINO)NAPHTHALENE [J].
EINSPAHR, H ;
ROBERT, JB ;
MARSH, RE ;
ROBERTS, JD .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1973, B 29 (AUG15) :1611-1617
[4]   TEMPERATURE-JUMP STUDY OF PROTON-TRANSFER FROM PROTONATED 1,8-BIS-(DIALKYLAMINO)NAPHTHALENES TO HYDROXIDE ION IN WATER AND AQUEOUS DIOXAN [J].
HIBBERT, F .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1974, (15) :1862-1866
[5]   ELECTRONEGATIVITY OF GROUPS [J].
HUHEEY, JE .
JOURNAL OF PHYSICAL CHEMISTRY, 1965, 69 (10) :3284-&
[6]  
Kitaigorodskii A.I., 1973, MOL CRYSTALS MOL
[7]   MECHANISM OF PROTON-TRANSFER FROM INTRAMOLECULARLY HYDROGEN-BONDED ACIDS - DIFFERENCES BETWEEN NITROGEN-TO-OXYGEN AND NITROGEN-TO-NITROGEN PROTON-TRANSFER [J].
KRESGE, AJ ;
POWELL, MF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (04) :972-973
[8]  
KRIGIER C, 1989, ANGEW CHEM, V101, P72
[9]  
OHASHI Y, UNPUB
[10]   STRUCTURE OF 1,8-BIS(DIMETHYLAMINO)NAPHTHALENE HYDROBROMIDE DIHYDRATE [J].
PYZALSKA, D ;
PYZALSKI, R ;
BOROWIAK, T .
JOURNAL OF CRYSTALLOGRAPHIC AND SPECTROSCOPIC RESEARCH, 1983, 13 (03) :211-220