Diacridinium trans-diaqua­bis(pyrazine-2,3-dicarboxyl­ato)cobaltate(II) hexa­hydrate

Aghabozorg, H.; Attar Gharamaleki, J.; Parvizi, M.; Derikvand, Z.

doi:10.1107/S1600536809053628

Volume 66
Part 1
Pages m83-m84
January 2010

Received 21 November 2009
Accepted 12 December 2009
Online 19 December 2009

Key indicators
Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R = 0.042
wR = 0.101
Data-to-parameter ratio = 18.4
Details

Diacridinium trans-diaquabis(pyrazine-2,3-dicarboxylato)cobaltate(II) hexahydrate

Hossein Aghabozorg,^a ^* Jafar Attar Gharamaleki,^b Mahdieh Parvizi ^a and Zohreh Derikvand ^c

^aFaculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, Iran,^bYoung Researchers Club, Islamic Azad University, North Tehran Branch, Tehran, Iran, and ^cDepartment of Chemistry, Islamic Azad University, Khorramabad Branch, Khorramabad, Iran
Correspondence e-mail: haghabozorg@yahoo.com

The title compound, (C₁₃H₁₀N)₂[Co(C₆H₂N₂O₄)₂(H₂O)₂]·6H₂O, consists of mononuclear trans-[Co(pz-2,3-dc)₂(H₂O)₂]^2- complex anions, (acrH)⁺ cations and uncoordinated water molecules (acr is acridine and pz-2,3-dcH₂ is pyrazine-2,3-dicarboxylic acid). The Co^II atom, which lies on a crystallographic center of symmetry, has a slightly distorted octahedral coordination environment, with two N and two O atoms from the (pz-2,3-dc)^2- ligands in the equatorial plane and with two water molecules in axial positions. In the crystal, the components are held together by two distinct N-HO and C-HO hydrogen bonds with R₂²(8) graph-sets. The coordinated and uncoordinated water molecules are also involved in O-HO hydrogen bonds, which lead to the formation of layers with R₃³(12) graph-set motifs. Extensive [pi] - [pi] stacking interactions between parallel aromatic rings of the acridinium ions, with distances ranging from 3.533 (1) to 3.613 (1) Å, occur in the structure.

Related literature

For the crystal structure of pyrazine-2,3-dicarboxylic acid (pz-2,3-dcH₂), see: Takusagawa & Shimada (1973). For complexes of (pz-2,3-dcH₂) and manganese, copper, zinc, iron and cadmium, see: Zou et al. (1999); Konar et al. (2004); Li et al. (2003); Xu et al. (2008); Ma et al. (2006). For complexes of (pz-2,3-dcH₂) with main group metals such as calcium, magnesium and sodium, see: Ptasiewicz-Bak & Leciejewicz (1997a,b); Tombul et al. (2006). For related structures of Co^II complexes with py-2,6-dcH₂, see: Aghabozorg et al. (2007, 2009); Aghabozorg, Attar Gharamaleki et al. (2008). For a review article on proton-transfer agents and their metal complexes, see: Aghabozorg, Manteghi & Sheshmani (2008).

Experimental

Crystal data

(C₁₃H₁₀N)₂[Co(C₆H₂N₂O₄)₂(H₂O)₂]·6H₂O
M_r = 895.69
Triclinic, $[P \overline 1]$
a = 6.9434 (15) Å
b = 9.682 (2) Å
c = 15.660 (5) Å
= 94.60 (2)°
= 98.59 (2)°
= 110.656 (16)°
V = 963.9 (4) Å³
Z = 1
Mo K radiation
= 0.53 mm^-1
T = 120 K
0.35 × 0.10 × 0.10 mm

Data collection

Bruker SMART 1000 diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.828, T_max = 0.949
10681 measured reflections
5096 independent reflections
3880 reflections with I > 2(I)
R_int = 0.028

Refinement

R[F² > 2(F²)] = 0.042
wR(F²) = 0.101
S = 1.00
5096 reflections
277 parameters
H-atom parameters constrained
_max = 0.53 e Å^-3
_min = -0.51 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WAO3Wⁱ	0.87	1.81	2.684 (2)	174
O1W-H1WBO4Wⁱⁱ	0.90	1.77	2.658 (2)	174
O2W-H2WAO2	0.90	1.92	2.813 (2)	172
O2W-H2WBO4ⁱⁱⁱ	0.88	1.90	2.776 (2)	177
O3W-H3WAO1^iv	0.88	1.95	2.806 (2)	165
O3W-H3WBO2W^iv	0.83	2.01	2.809 (2)	162
O4W-H4WAO3	0.93	1.91	2.789 (2)	156
O4W-H4WBN4ⁱⁱⁱ	0.96	1.92	2.848 (2)	163
N9-H9O4	0.92	1.74	2.648 (2)	167
C11-H11O3	0.95	2.50	3.365 (3)	151
C12-H12O1^v	0.95	2.49	3.431 (3)	171
C16-H16O2W^vi	0.95	2.46	3.395 (3)	169
Symmetry codes: (i) -x+2, -y+2, -z+1; (ii) x+1, y+1, z; (iii) x-1, y, z; (iv) -x+1, -y+2, -z+1; (v) x, y-1, z; (vi) -x+1, -y+1, -z+1.

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: OM2301 ).

References

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metal-organic compounds