4,4′-bithiazoles as ligands: Crystal and molecular structure of bis(O,O′-nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (two polymorphs)

S.A. Asghar-Torabi, F. Jamali, George Koutsantonis, A. Morsali, Brian Skelton, Allan White

Research output: Contribution to journalArticle

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Abstract

A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2'-diphenyl-4,4'-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N, N' chelate, and the nitrate groups as unsymmetrical O,O' chelates: [LCu(O2NO)(2)]. Two polymorphs, both monoclinic P2(1)/c, have been obtained from acetonitrile ('alpha') and methanol ('beta'), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu - N 2.011(1), 1.973(1), Cu-O 1.995(1), 1.962(1) Angstrom), 'in-plane' angle sum Sigma 369.(5degrees), with longer trans, axial contacts (Cu - O 2.455(1), 2.458(2) Angstrom) for the alpha-form; respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Angstrom, 360.(4degrees), 2.500(4), and 2.396(4) Angstrom for the beta-form.
Original languageEnglish
Pages (from-to)949-952
JournalAustralian Journal of Chemistry
Volume56
Issue number9
DOIs
Publication statusPublished - 2003

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Polymorphism
Nitrates
Molecular structure
Methanol
Copper
Crystal structure
Single crystals
Ligands
X rays
Molecules
Temperature
diphenyl
acetonitrile
copper(II) nitrate

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@article{cbcfcdac4ebe4741b58d26a135979e4f,
title = "4,4′-bithiazoles as ligands: Crystal and molecular structure of bis(O,O′-nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (two polymorphs)",
abstract = "A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2'-diphenyl-4,4'-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N, N' chelate, and the nitrate groups as unsymmetrical O,O' chelates: [LCu(O2NO)(2)]. Two polymorphs, both monoclinic P2(1)/c, have been obtained from acetonitrile ('alpha') and methanol ('beta'), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu - N 2.011(1), 1.973(1), Cu-O 1.995(1), 1.962(1) Angstrom), 'in-plane' angle sum Sigma 369.(5degrees), with longer trans, axial contacts (Cu - O 2.455(1), 2.458(2) Angstrom) for the alpha-form; respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Angstrom, 360.(4degrees), 2.500(4), and 2.396(4) Angstrom for the beta-form.",
author = "S.A. Asghar-Torabi and F. Jamali and George Koutsantonis and A. Morsali and Brian Skelton and Allan White",
year = "2003",
doi = "10.1071/CH03016",
language = "English",
volume = "56",
pages = "949--952",
journal = "Australian Journal of Chemistry:an international journal for chemical science",
issn = "0004-9425",
publisher = "CSIRO Publishing",
number = "9",

}

4,4′-bithiazoles as ligands: Crystal and molecular structure of bis(O,O′-nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (two polymorphs). / Asghar-Torabi, S.A.; Jamali, F.; Koutsantonis, George; Morsali, A.; Skelton, Brian; White, Allan.

In: Australian Journal of Chemistry, Vol. 56, No. 9, 2003, p. 949-952.

Research output: Contribution to journalArticle

TY - JOUR

T1 - 4,4′-bithiazoles as ligands: Crystal and molecular structure of bis(O,O′-nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (two polymorphs)

AU - Asghar-Torabi, S.A.

AU - Jamali, F.

AU - Koutsantonis, George

AU - Morsali, A.

AU - Skelton, Brian

AU - White, Allan

PY - 2003

Y1 - 2003

N2 - A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2'-diphenyl-4,4'-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N, N' chelate, and the nitrate groups as unsymmetrical O,O' chelates: [LCu(O2NO)(2)]. Two polymorphs, both monoclinic P2(1)/c, have been obtained from acetonitrile ('alpha') and methanol ('beta'), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu - N 2.011(1), 1.973(1), Cu-O 1.995(1), 1.962(1) Angstrom), 'in-plane' angle sum Sigma 369.(5degrees), with longer trans, axial contacts (Cu - O 2.455(1), 2.458(2) Angstrom) for the alpha-form; respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Angstrom, 360.(4degrees), 2.500(4), and 2.396(4) Angstrom for the beta-form.

AB - A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2'-diphenyl-4,4'-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N, N' chelate, and the nitrate groups as unsymmetrical O,O' chelates: [LCu(O2NO)(2)]. Two polymorphs, both monoclinic P2(1)/c, have been obtained from acetonitrile ('alpha') and methanol ('beta'), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu - N 2.011(1), 1.973(1), Cu-O 1.995(1), 1.962(1) Angstrom), 'in-plane' angle sum Sigma 369.(5degrees), with longer trans, axial contacts (Cu - O 2.455(1), 2.458(2) Angstrom) for the alpha-form; respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Angstrom, 360.(4degrees), 2.500(4), and 2.396(4) Angstrom for the beta-form.

U2 - 10.1071/CH03016

DO - 10.1071/CH03016

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JO - Australian Journal of Chemistry:an international journal for chemical science

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SN - 0004-9425

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ER -