Crystal structures and conformations of two new biisoquinoline derivatives

Elliott, Mark Christopher ORCID: https://orcid.org/0000-0003-0132-0818, Malik, Khalifa M. Abdul and Williams, Eve 2004. Crystal structures and conformations of two new biisoquinoline derivatives. Journal of Chemical Crystallography 34 (6) , pp. 371-381. 10.1023/B:JOCC.0000028669.22883.be

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Abstract

Crystal structural studies of two new biisoquinoline derivatives, a neutral compound C20H24N2 (3) and a salt C18H21N2 +sdotC10H14BrO4S– sdotH2O (4) are described and discussed. Compound 3 crystallizes in the monoclinic space group P2 1/c, with a = 11.039(2), b = 7.791(2), c = 19.001(4) Å, beta = 104.31(3)°, and Z = 4. Compound 4 crystallizes in the monoclinic space group P2 1, with a = 12.0021(3), b = 8.9189(2), c = 12.8685(4) Å, beta = 100.7600(10)°, and Z = 2. The absolute stereochemistry of 4 in the solid state has been determined. The biisoquinoline rings in both compounds adopt twist-boat conformations with significant deviations from ideal geometry. The two heterocyclic rings in each species are oriented so that they are not overlayed with each other and the phenyl rings are oppositely directed. The cations and the anions in 4 are linked together through an elaborate system of hydrogen bonding involving the water molecule.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Uncontrolled Keywords:	Biisoquinoline - chiral diamine - resolution - X-ray structure
Publisher:	Springer
ISSN:	1074-1542
Last Modified:	21 Oct 2022 10:22
URI:	https://orca.cardiff.ac.uk/id/eprint/39967

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