A NOVEL AMINOTRIOL - 4-AMINO-4-(3-HYDROXY-1-PROPYL)-1,7-HEPTANEDIOL

被引:4
作者
BROUSSARD, M [1 ]
JUMA, B [1 ]
FRONCZEK, FR [1 ]
WATKINS, SF [1 ]
NEWKOME, GR [1 ]
MOOREFIELD, CN [1 ]
机构
[1] UNIV S FLORIDA,DEPT CHEM,TAMPA,FL 33620
关键词
D O I
10.1107/S0108270190011921
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C10H23NO3, M(r) = 205.30, orthorhombic, P2(1)2(1)2(1) a = 8.314 (2), b = 9.539 (1), c = 14.512 (3) angstrom, V = 1150.9 (6) angstrom3, Z = 4, D(x) = 1.185 g cm-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 0.8 cm-1, F(000) = 456, T = 293 (2) K, 1926 unique reflections measured, final R = 0.034 for 1681 reflections with I > 3.0-sigma(I). The amino group and all three hydroxyl groups are involved in ten intermolecular hydrogen bonds, ranging in length from 2.776 (2) to 3.314 (2) angstrom, resulting in an unexpectedly high melting point (382 K). The C-N bond length is 1.483 (2) angstrom, and the mean C-O bond length is 1.420 (6) angstrom. The C-C bond distances of the hydroxypropyl groups exhibit shortening with increasing distance from the central carbon atom, with means of 1.541 (2), 1.523 (4) and 1.514 (6) angstrom.
引用
收藏
页码:1245 / 1247
页数:3
相关论文
共 13 条
[1]   SYSTEMATIC ANALYSIS OF STRUCTURAL DATA AS A RESEARCH TECHNIQUE IN ORGANIC-CHEMISTRY [J].
ALLEN, FH ;
KENNARD, O ;
TAYLOR, R .
ACCOUNTS OF CHEMICAL RESEARCH, 1983, 16 (05) :146-153
[2]  
BUHLEIER E, 1978, SYNTHESIS-STUTTGART, P155
[3]   POLYMORPHISM OF CRYSTALLINE POLY(HYDROXYMETHYL) COMPOUNDS .3. THE STRUCTURES OF CRYSTALLINE AND PLASTIC TRIS(HYDROXYMETHYL)AMINOMETHANE [J].
EILERMAN, D ;
RUDMAN, R .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) :5656-5666
[4]  
FRENZ BA, 1978, ENRAF NONIUS CAD4 SD, P64
[5]  
JOHNSON CK, 1965, ORNL3794 REP
[6]  
LIN XT, 1987, J STRUCT CHEM, V6, P214
[7]  
MAIN P, 1982, MULTAN SYSTEM COMPUT
[8]  
MOTHERWELL WDS, 1978, PLUTO PROGRAM PLOTTI
[9]   2-DIRECTIONAL CASCADE MOLECULES - SYNTHESIS AND CHARACTERIZATION OF [9]-N-[9] ARBOROLS [J].
NEWKOME, GR ;
BAKER, GR ;
SAUNDERS, MJ ;
RUSSO, PS ;
GUPTA, VK ;
YAO, ZQ ;
MILLER, JE ;
BOUILLION, K .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, (10) :752-753
[10]   MICELLES .1. CASCADE MOLECULES - A NEW APPROACH TO MICELLES - A [27]-ARBOROL [J].
NEWKOME, GR ;
YAO, ZQ ;
BAKER, GR ;
GUPTA, VK .
JOURNAL OF ORGANIC CHEMISTRY, 1985, 50 (11) :2003-2004