Molecular structure of RbSCN complex with N-(4 '-hydroxy-3 ',5 '-diisopropylbenzyl)monoaza-15-crown-5 ether: Two structures in a unit cell

Citation
Y. Habata et al., Molecular structure of RbSCN complex with N-(4 '-hydroxy-3 ',5 '-diisopropylbenzyl)monoaza-15-crown-5 ether: Two structures in a unit cell, SUPRAMOL CH, 13(4), 2001, pp. 539-543
Citations number
9
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry
Journal title
SUPRAMOLECULAR CHEMISTRY
ISSN journal
1061-0278 → ACNP
Volume
13
Issue
4
Year of publication
2001
Pages
539 - 543
Database
ISI
SICI code
1061-0278(2001)13:4<539:MSORCW>2.0.ZU;2-0
Abstract
Molecular structures of the RbSCN complexes with N-(4'-hydroxy-3',5'-diisop ropylbenzyl)-monoaza-15-crown-5 ether (2-RbSCN) and N-(4'-hydroxy-3',5'-di- tert-butylbenzyl)-monoaza-15-crown-5 ether (3-RbSCN) are reported. Crystal data (2-RbSCN) C24H39N2O5SRb, M=553.11, monoclinic, space group P2(1), a=9. 835(4), b=15.44(3), c=18.563(6) Angstrom, beta = 99.58 (4), U = 2779(4) Ang strom (3), Z = 4, Dc = 1.322 gcm(-3), v = 18.87 cm(-1), R = 0.047, Rw = 0.0 49 for the 5339 independent reflections of 5712 measured reflections) and 5 90 parameters. (3-RbSCN) C52H86N4 O10S2Rb2, M = 1162.32, triclinic, space g roup Pi, a = 9.917(2), b = 24.644(6), c = 12.572(3), alpha = 89.38(2), gamm a = 96.13 2), gamma = 89.34(2) Angstrom, U = 3054(1) Angstrom (3), Z = 2, D c = 1.264 g cm(-3) mu = 17.20 cm(-1), R = 0.051, R = 0.053 for the 6864 ind ependent reflections (of 7201 measured reflections) and 316 parameters. The molecular structures of the RbSCN complexes with a series of N-(4-hydroxy- 3',5'-dialkylbenzyl)monoaza-15-crown-3 ethers (1, 2 and 3) were systematica lly changed depending upon the size of the R groups at positions 3' and 5' in the side arm; 1 (R=Me), a polymer-like (1: 1)(n) complex; 2 (R = i-Pr), a mixture of 1:1 complex and polymer-like (1:1)(n) complex; 3 (R = t-Bu), a dimeric 1: 1 complex.