(4,5-Diaza­fluoren-9-one-κ2 N,N′)bis­(1H-imidazole-κN 3)bis­(thio­cyanato-κN)cobalt(II)

Xiu-Ling Feng; Yu-Ping Zhang

doi:10.1107/S1600536811029060

. 2011 Aug 2;67(Pt 9):m1171. doi: 10.1107/S1600536811029060

(4,5-Diazafluoren-9-one-κ² N,N′)bis(1H-imidazole-κN ³)bis(thiocyanato-κN)cobalt(II)

Xiu-Ling Feng ^a,^*, Yu-Ping Zhang ^b

PMCID: PMC3200902 PMID: 22058833

Abstract

In the title complex, [Co(NCS)₂(C₃H₄N₂)₂(C₁₁H₆N₂O)], the Co^II atom has a distorted octahedral coordination with the N atoms of the 4,5-diazafluoren-9-one ligand and two N atoms from imidazole ligands in the equatorial positions and the axial sites occupied by two N atoms of the thiocyanate ligand. Intermolecular N—H⋯O hydrogen bonding forms a one-dimensional motif parallel to the cell ab diagonal.

Related literature

For related structures, see: Notash et al. (2011 ▶); Xu et al. (2009 ▶). For general background to metal complexes with diazafluoren-9-one ligands, see: Biju & Rajasekharan (2008 ▶); Zhang & Li (2009 ▶). For a related structure, see: Yang et al. (2004 ▶).

Experimental

Crystal data

[Co(NCS)₂(C₃H₄N₂)₂(C₁₁H₆N₂O)]
M _r = 493.43
Triclinic,
a = 9.2239 (9) Å
b = 10.920 (1) Å
c = 11.9441 (12) Å
α = 71.578 (1)°
β = 70.582 (1)°
γ = 73.931 (2)°
V = 1056.48 (18) Å³
Z = 2
Mo Kα radiation
μ = 1.04 mm⁻¹
T = 298 K
0.35 × 0.33 × 0.30 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.712, T _max = 0.746
5357 measured reflections
3633 independent reflections
2208 reflections with I > 2σ(I)
R _int = 0.041

Refinement

R[F ² > 2σ(F ²)] = 0.062
wR(F ²) = 0.192
S = 1.06
3633 reflections
280 parameters
H-atom parameters constrained
Δρ_max = 1.10 e Å⁻³
Δρ_min = −0.50 e Å⁻³

Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT (Bruker, 2002 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811029060/qm2016sup1.cif

e-67-m1171-sup1.cif^{(24.7KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811029060/qm2016Isup2.hkl

e-67-m1171-Isup2.hkl^{(178.1KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N6—H6⋯O1ⁱ	0.86	2.47	2.980 (10)	119

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Symmetry code: (i) Inline graphic .

Acknowledgments

The authors appreciate the help of Professor Dr Hongyou Guo and the financial support of the Science Foundation of Huaihua University (grant No. HHUQ.2009–10.).

supplementary crystallographic information

Comment

The title complex, Co(C₁₁H₆NO₂)(C₃H₄N₂)₂(SCN)₂ contains a Co^II centre with a distorted octahedral coordination where the equatorial plane contains the N atoms of 4,5-diazafluoren-9-

one and two N atoms from imidazole ligands and the axial positions are occupied by two N atoms of thiocyanato ligands. Intermolecular N—H···O hydrogen bonding forms a one-dimensional motif parallel to the cell ab diagonal.

Experimental

A mixture of Co(NO₃)₂. 6H₂O (0.5 mmol), 4,5-diazafluoren-9-one (0.5 mmol), imidazole (0.5 mmol) and KSCN (0.5 mmol) in 15 mL distilled water was heated at 413 K in a Teflon-lined stainless steel autoclave for three days. The reaction system was then slowly cooled to room temperature. Red crystals of the title compound suitable for single-crystal X-ray diffraction analysis were obtained by slow evaporation of the aqueous solution over a period of one month (yield 49% based on Co).