Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis­(4-hydroxy­pyridine-2,6-carboxyl­ato)­cuprate(II) hexa­hydrate

Ramos Silva, M.; Motyeian, E.; Aghabozorg, H.; Ghadermazi, M.

doi:10.1107/S160053680802566X

Volume 64
Part 9
Pages m1173-m1174
September 2008

Received 5 August 2008
Accepted 8 August 2008
Online 16 August 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.045
wR = 0.116
Data-to-parameter ratio = 14.5
Details

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(4-hydroxypyridine-2,6-carboxylato)cuprate(II) hexahydrate

Manuela Ramos Silva,^a ^* Elham Motyeian,^b Hossein Aghabozorg ^c and Mohammad Ghadermazi ^d

^aCEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra, Portugal,^bDepartment of Chemistry, Faculty of Science, Payame Noor University, Qom Center, Qom, Iran,^cFaculty of Chemistry, Tarbiat Moallem University, 49 Mofateh Avenue, 15614 Tehran, Iran, and ^dDepartment of Chemistry, Faculty of Science, University of Kurdistan, Sanandaj, Iran
Correspondence e-mail: manuela@pollux.fis.uc.pt

In the title compound, (C₃H₇N₆)₂[Cu(C₇H₃NO₅)₂]·6H₂O, the coordination geometry of the Cu^II atom can be described as distorted octahedral. The equatorial plane is defined by four O atoms from two 4-hydroxypyridine-2,6-dicarboxylate ligands. The axial positions are occupied by the N atoms of the same ligands. There is an extensive three-dimensional hydrogen-bond network reinforcing crystal cohesion.

Related literature

For related literature, see: Aghabozorg, Motyeian, Attar Gharamaleki et al. (2008); Aghabozorg, Motyeian, Soleimannejad et al. (2008); Aghabozorg, Saadaty et al. (2008).

Experimental

Crystal data

(C₃H₇N₆)₂[Cu(C₇H₃NO₅)₂]·6H₂O
M_r = 788.14
Monoclinic, P 2₁ /c
a = 11.2894 (3) Å
b = 37.7699 (12) Å
c = 7.3414 (2) Å
= 94.016 (2)°
V = 3122.68 (15) Å³
Z = 4
Mo K radiation
= 0.80 mm^-1
T = 293 (2) K
0.28 × 0.20 × 0.10 mm

Data collection

Bruker APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2000) T_min = 0.714, T_max = 0.919
22082 measured reflections
7390 independent reflections
5112 reflections with I > 2(I)
R_int = 0.054

Refinement

R[F² > 2(F²)] = 0.044
wR(F²) = 0.116
S = 1.02
7390 reflections
508 parameters
13 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.44 e Å^-3
_min = -0.46 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1A-H1AO7ⁱ	0.74 (3)	1.84 (3)	2.573 (3)	169 (4)
O1B-H1BO6ⁱⁱ	0.76 (4)	1.83 (4)	2.579 (3)	173 (4)
N5A-H5AO10ⁱⁱ	0.77 (2)	2.06 (3)	2.787 (3)	159 (3)
N6A-H7O4Bⁱⁱⁱ	0.86	2.13	2.980 (3)	173
N6A-H8O11	0.86	2.13	2.962 (4)	162
N7A-H11O1Bⁱⁱⁱ	0.86	2.25	3.106 (3)	172
N7A-H12O9^iv	0.86	2.11	2.910 (4)	155
N8A-H9N3A^v	0.86	2.11	2.973 (4)	177
N8A-H10O10ⁱⁱ	0.86	2.25	2.986 (4)	144
N8A-H10O11^v	0.86	2.56	3.202 (4)	133
N5B-H5BO2A^vi	0.78 (2)	1.96 (3)	2.698 (3)	157 (3)
N6B-H5O1Aⁱ	0.86	2.28	3.131 (3)	170
N6B-H6O9	0.86	2.38	2.905 (3)	120
N7B-H1O5B^vii	0.86	2.24	3.021 (3)	151
N7B-H2O2A^vi	0.86	2.11	2.852 (3)	144
N8B-H3O4Aⁱ	0.86	2.10	2.930 (3)	163
N8B-H4O8^vi	0.86	2.01	2.857 (3)	169
O6-H61O5A	0.83 (2)	1.87 (2)	2.706 (3)	177 (4)
O6-H62O2B^viii	0.81 (2)	1.97 (2)	2.756 (3)	163 (4)
O7-H71O3B^viii	0.82 (2)	1.94 (2)	2.741 (3)	163 (4)
O7-H72O5B	0.82 (2)	1.95 (2)	2.766 (3)	171 (4)
O8-H81O4Bⁱⁱⁱ	0.86 (2)	1.86 (2)	2.714 (3)	173 (4)
O8-H82O3A	0.83 (2)	1.90 (2)	2.701 (3)	162 (4)
O9-H91O3B	0.88 (2)	1.97 (2)	2.839 (3)	172 (4)
O9-H92O4Aⁱⁱⁱ	0.88 (2)	2.13 (2)	3.005 (3)	176 (4)
O10-H101O8^ix	0.84 (4)	2.24 (3)	3.030 (4)	157 (5)
O10-H102O4A	0.89 (4)	2.39 (5)	2.695 (3)	101 (4)
O11-H111O10^x	0.85 (2)	2.44 (4)	3.196 (5)	149 (7)
O11-H112N4B^x	0.83 (6)	2.53 (7)	2.996 (4)	116 (6)
O11-H112O8	0.83 (6)	2.60 (8)	3.090 (5)	118 (7)
Symmetry codes: (i) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (ii) -x+1, -y+2, -z+1; (iii) x, y, z-1; (iv) -x+1, -y+2, -z; (v) -x, -y+2, -z+1; (vi) $[x+1, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (vii) x+1, y, z; (viii) x, y, z+1; (ix) x+1, y, z+1; (x) x-1, y, z.

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT2763 ).

References

Aghabozorg, H., Motyeian, E., Attar Gharamaleki, J., Soleimannejad, J., Ghadermazi, M. & Spey Sharon, E. (2008). Acta Cryst. E64, m144-m145.
Aghabozorg, H., Motyeian, E., Soleimannejad, J., Ghadermazi, M. & Attar Gharamaleki, J. (2008). Acta Cryst. E64, m252-m253.
Aghabozorg, H., Saadaty, S., Motyeian, E., Ghadermazi, M. & Manteghi, F. (2008). Acta Cryst. E64, m466-m467.
Bruker (2003). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
Sheldrick, G. M. (2000). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds