Crystal structure of an ammonium thiocyanate complex of 18-crown-6

被引：7

作者：

Bokare, AD ^{[1
]}

Patnaik, A ^{[1
]}

机构：

[1] Indian Inst Technol, Dept Chem, Madras 600036, Tamil Nadu, India

来源：

CRYSTAL RESEARCH AND TECHNOLOGY | 2004年 / 39卷 / 05期

关键词：

crystal structure; perching arrangement; hydrogen bonding;

D O I：

10.1002/crat.200310211

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound (C13H30N2O7S) has been determined from three-dimensional X-ray diffraction data. The crystals are monoclinic, a = 22.654(8) Angstrom, b = 8.652(4) Angstrom, c = 23.925(9) Angstrom, beta = 123.880(9)degrees, V= 3893(3) Angstrom(3) , Z = 8 D-calc = 1.192 g/cm(3), space group C2/c. The structure was solved by direct methods and refined by fullmatrix least squares method (R = 0.051). The ammonium cation is displaced by 1.08 Angstrom from the mean plane of the ligand causing hydrogen bonding with the macrocyclic O atoms in a perching arrangement. The thiocyanate anion forms an extended hydrogen bonded chain with the cation via the occluded water molecule. (C) 2004 WILEY-VCH Verlag Gmbh & Co. KGaA, Weinheim.

引用

页码：465 / 469

页数：5

共 7 条

[1] STEREOCHEMISTRY IN BETA ELIMINATIONS FROM EXO-2-NORBORNYL TOSYLATE - EFFECT OF BASE ASSOCIATION [J].

BARTSCH, RA ;

KAYSER, RH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (13) :4346-4347

[2] CRYSTAL-STRUCTURE ANALYSES OF 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE AND ITS COMPLEXES WITH ALKALI THIOCYANATES [J].

DUNITZ, JD ;

DOBLER, M ;

SEILER, P ;

PHIZACKERLEY, RP .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1974, 30 (NOV15) :2733-2738

[3] NATURE OF THE INTERACTIONS OF 18-CROWN-6 WITH AMMONIUM CATIONS - A COMPUTATIONAL STUDY [J].

HA, YL ;

CHAKRABORTY, AK .

JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (15) :6410-6417

[4] SUBSTOICHIOMETRIC NEUTRON-ACTIVATION DETERMINATION OF SODIUM - EXTRACTION OF SODIUM DICYCLOHEXYL-18-CROWN-6 TETRAPHENYLBORATE [J].

MITCHELL, JW ;

SHANKS, DL .

ANALYTICAL CHEMISTRY, 1975, 47 (04) :642-646

[5] AMMONIUM-CHLORIDE COMPLEXES WITH 18-CROWN-6 [J].

PEARS, DA ;

STODDART, JF ;

FAKLEY, ME ;

ALLWOOD, BL ;

WILLIAMS, DJ .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1988, 44 :1426-1430

[6] CYCLIC POLYETHERS AND THEIR COMPLEXES WITH METAL SALTS [J].

PEDERSEN, CJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (26) :7017-&

[7]

Sheldrick G.M., 1997, Crystal Structure Refinement

← 1 →