| Autor: |
Meier A; Department of Chemistry, The University of Kansas, Lawrence, KS 66045, USA., Mian MR; X-ray Crystallography Laboratory, The University of Kansas, Lawrence, KS 66045, USA., Ou S; Department of Chemistry, The University of Kansas, Lawrence, KS 66045, USA., Lovell S; X-ray Crystallography Laboratory, The University of Kansas, Lawrence, KS 66045, USA.; Protein Structure Laboratory, The University of Kansas, Lawrence, KS66047, USA., Mure M; Department of Chemistry, The University of Kansas, Lawrence, KS 66045, USA. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2023 Feb 21; Vol. 79 (Pt 3), pp. 201-206. Date of Electronic Publication: 2023 Feb 21 (Print Publication: 2023). |
| DOI: |
10.1107/S205698902300138X |
| Abstrakt: |
The dark-red title complex crystallized from an equimolar methanol solution of ( E )-5-(ethyl-amino)-4-methyl-2-[(pyridin-2-yl)diazen-yl]phenol and CuCl 2 (phen) (phen = 1,10-phenanthroline) as a centrosymmetric dimer, [CuCl(C 14 H 15 N 4 O)] 2 . The Cu atoms are bridged by two Cl ligands and have a slightly distorted square-pyramidal coordination, where two N atoms from the azo and the pyridine moieties, a phenolic O and a Cl atom comprise the base and the other Cl occupies the apex position. The apical Cu-Cl bond, 2.6192 (4) Å, is longer than the basal one, 2.2985 (3) Å, due to Jahn-Teller distortion. The dimers are associated via weak inter-molecular hydrogen bonds and π-π stacking inter-actions between phenyl and pyridine rings. A monomeric by-product of the same reaction, [CuCl(phen) 2 ]Cl·4H 2 O, has a trigonal-bipyramidal coordination of Cu with equatorial Cl ligand, and extensive outer-sphere disorder. In the structure of 4 , the packing of cations leaves continuous channels containing disordered Cl - anions and solvent mol-ecules. The identity of the solvent (water or a water/methanol mixture) was not certain. The disordered anion/solvent regions comprise 28% of the unit-cell volume. The disorder was approximated by five partly occupied positions of the Cl - anion and ten positions of O atoms with a total occupancy of 3, giving a total of 48 electrons per asymmetric unit, in agreement with the integral electron density of 47.8 electrons in the disordered region, as was estimated using the BYPASS-type solvent-masking program [van der Sluis & Spek (1990). Acta Cryst. A 46 , 194-201].
(© Meier et al. 2023.) |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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