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Crystal structure of chlorido-{1-(2,3-dimethyl-5-oxido-1-phenyl-1H-pyrazol-2-ium-4-yl-κO)-2-[3-methyl-5-oxo-1-phenyl-4,5-di-hydro-1H-pyrazol-4-yl-idene-κO]hydrazin-1-ido-κN (1)}copper(II) from laboratory X-ray powder data.

Kovalchukova O, Nguen V, Strashnova S, Kuznetsov D, Berikashvili T - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title compound, [Cu(C21H19N6O2)Cl], the Cu(II) atom is in a slightly distorted square-planar coordination involving two O atoms from the pyrazolone rings [Cu-O = 2.088 (10) and 1.975 (10) Å], an N atom of the azo group [Cu-N = 2.048 (13) Å] and a chloride anion [Cu-Cl = 2.183 (5) Å].The organic anions act as tridentate chelating ligands.The mol-ecules stack in columns along the c axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Peoples' Friendship University of Russia, 6 Miklukho-Mallaya, 117198 Moscow, Russia.

ABSTRACT
In the title compound, [Cu(C21H19N6O2)Cl], the Cu(II) atom is in a slightly distorted square-planar coordination involving two O atoms from the pyrazolone rings [Cu-O = 2.088 (10) and 1.975 (10) Å], an N atom of the azo group [Cu-N = 2.048 (13) Å] and a chloride anion [Cu-Cl = 2.183 (5) Å]. The organic anions act as tridentate chelating ligands. The mol-ecules stack in columns along the c axis.

No MeSH data available.


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View of the title compound showing the atomic numbering. H atoms are omitted for clarity.
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fig1: View of the title compound showing the atomic numbering. H atoms are omitted for clarity.

Mentions: The central CuII atom is in a square-planar coordination (Fig. 1 ▸) by two O atoms from the pyrazolone rings, an N atom of the azo group, and a chloride anion. The coordination is slightly distorted in view of the two Cu—O bond lengths [2.088 (10) and 1.975 (10) Å], the Cu—Cl [2.183 (5) Å] and the Cu—N bond lengths [2.048 (13) Å]. The sum of the bond angles at the Cu atom [O10—Cu30—N15 = 90.9 (5), O10—Cu30—Cl31 94.0 (4), N15—Cu30—O20 = 83.0 (5), O20—Cu30—Cl31 92.0 (3)°] equals 359.9° which is indicative of the planarity of the CuII coordination. The organic anions act as tridentate chelating ligands. The N14—N15, N14—C13 and N15—C16 bond lengths [1.306 (17), 1.34 (2) and 1.39 (2) Å, respectively] are very close, thus indicating a strong conjunction of the two pyrazolone fragments which lie in one plane [maximum deviation 0.134 (13) Å for N14]. The benzene rings of the substituents are twisted around this plane by 83 (2) and 9(3)°.


Crystal structure of chlorido-{1-(2,3-dimethyl-5-oxido-1-phenyl-1H-pyrazol-2-ium-4-yl-κO)-2-[3-methyl-5-oxo-1-phenyl-4,5-di-hydro-1H-pyrazol-4-yl-idene-κO]hydrazin-1-ido-κN (1)}copper(II) from laboratory X-ray powder data.

Kovalchukova O, Nguen V, Strashnova S, Kuznetsov D, Berikashvili T - Acta Crystallogr E Crystallogr Commun (2015)

View of the title compound showing the atomic numbering. H atoms are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384589&req=5

fig1: View of the title compound showing the atomic numbering. H atoms are omitted for clarity.
Mentions: The central CuII atom is in a square-planar coordination (Fig. 1 ▸) by two O atoms from the pyrazolone rings, an N atom of the azo group, and a chloride anion. The coordination is slightly distorted in view of the two Cu—O bond lengths [2.088 (10) and 1.975 (10) Å], the Cu—Cl [2.183 (5) Å] and the Cu—N bond lengths [2.048 (13) Å]. The sum of the bond angles at the Cu atom [O10—Cu30—N15 = 90.9 (5), O10—Cu30—Cl31 94.0 (4), N15—Cu30—O20 = 83.0 (5), O20—Cu30—Cl31 92.0 (3)°] equals 359.9° which is indicative of the planarity of the CuII coordination. The organic anions act as tridentate chelating ligands. The N14—N15, N14—C13 and N15—C16 bond lengths [1.306 (17), 1.34 (2) and 1.39 (2) Å, respectively] are very close, thus indicating a strong conjunction of the two pyrazolone fragments which lie in one plane [maximum deviation 0.134 (13) Å for N14]. The benzene rings of the substituents are twisted around this plane by 83 (2) and 9(3)°.

Bottom Line: In the title compound, [Cu(C21H19N6O2)Cl], the Cu(II) atom is in a slightly distorted square-planar coordination involving two O atoms from the pyrazolone rings [Cu-O = 2.088 (10) and 1.975 (10) Å], an N atom of the azo group [Cu-N = 2.048 (13) Å] and a chloride anion [Cu-Cl = 2.183 (5) Å].The organic anions act as tridentate chelating ligands.The mol-ecules stack in columns along the c axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Peoples' Friendship University of Russia, 6 Miklukho-Mallaya, 117198 Moscow, Russia.

ABSTRACT
In the title compound, [Cu(C21H19N6O2)Cl], the Cu(II) atom is in a slightly distorted square-planar coordination involving two O atoms from the pyrazolone rings [Cu-O = 2.088 (10) and 1.975 (10) Å], an N atom of the azo group [Cu-N = 2.048 (13) Å] and a chloride anion [Cu-Cl = 2.183 (5) Å]. The organic anions act as tridentate chelating ligands. The mol-ecules stack in columns along the c axis.

No MeSH data available.


Related in: MedlinePlus