Tetra­kis(4-amino­pyridine-κN1)dichlorido­copper(II) monohydrate

Fun, H.-K.; Sinthya, A.; Jebas, S.R.; Devadasan, S.

doi:10.1107/S1600536808015778

Volume 64
Part 7
Pages m853-m854
July 2008

Received 24 May 2008
Accepted 26 May 2008
Online 7 June 2008

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R = 0.042
wR = 0.104
Data-to-parameter ratio = 41.3
Details

Tetrakis(4-aminopyridine-N¹)dichloridocopper(II) monohydrate

Hoong-Kun Fun,^a ^* A. Sinthya,^b Samuel Robinson Jebas ^a ⁺ and Suganthi Devadasan ^c

^aX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia,^bDepartment of Electronics, St Joseph's College, Tiruchirappalli 620 001, India, and ^cDepartment of Physics, Karunya University, Karunya Nagar, Coimbatore 641 114, India
Correspondence e-mail: hkfun@usm.my

The asymmetric unit of the title compound, [CuCl₂(C₅H₆N₂)₄]·H₂O, contains two crystallographically independent complex molecules and two water molecules. The Cu^II ion in each molecule is six-coordinated in an elongated octahedral geometry, with the equatorial plane defined by four pyridine N atoms of four aminopyridine ligands and the axial positions occupied by two Cl atoms. In the crystal structure, molecules are linked into a three-dimensional framework by C-HCl, O-HCl, N-HO, N-HCl and N-HN hydrogen bonds and C/N-H [pi] interactions involving the pyridine rings.

Related literature

For related literature on 4-aminopyridine, see: Judge & Bever (2006); Schwid et al. (1997); Strupp et al. (2004). For bond lengths, see: Moncol et al. (2004); Zaleski et al. (2005); Anderson et al. (2005).

Experimental

Crystal data

[CuCl₂(C₅H₆N₂)₄]·H₂O
M_r = 528.93
Triclinic, $[P \overline 1]$
a = 9.5430 (2) Å
b = 14.1606 (2) Å
c = 17.4662 (3) Å
= 88.463 (1)°
= 86.075 (1)°
= 85.781 (1)°
V = 2347.81 (7) Å³
Z = 4
Mo K radiation
= 1.19 mm^-1
T = 100.0 (1) K
0.51 × 0.40 × 0.12 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005) T_min = 0.583, T_max = 0.871
106511 measured reflections
24484 independent reflections
17417 reflections with I > 2(I)
R_int = 0.047

Refinement

R[F² > 2(F²)] = 0.041
wR(F²) = 0.104
S = 1.07
24484 reflections
593 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.92 e Å^-3
_min = -1.11 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1, Cg2 and Cg3 are centroids of the N1/C1-C5, N9/C21-C25 and N11/C26-C30 rings, respectively.

D-HA	D-H	HA	DA	D-HA
C2-H2Cl2ⁱ	0.93	2.68	3.5955 (13)	167
C6-H6Cl2	0.93	2.80	3.3665 (13)	121
C10-H10Cl1	0.93	2.78	3.4430 (13)	129
C20-H20Cl1	0.93	2.64	3.3522 (13)	134
C25-H25Cl4	0.93	2.71	3.2928 (13)	121
C26-H26N9	0.93	2.62	3.0473 (17)	108
C35-H35Cl4	0.93	2.67	3.3947 (14)	136
N4-H4AO1Wⁱⁱ	0.86	2.38	3.2094 (17)	163
N4-H4BCl1ⁱⁱⁱ	0.86	2.43	3.2893 (13)	175
N6-H6ACl4^iv	0.86	2.82	3.4066 (13)	127
N8-H8BCl2^iv	0.86	2.56	3.4021 (13)	166
N10-H10BCl3^v	0.86	2.41	3.2596 (11)	171
N12-H12AO1W	0.86	2.06	2.8908 (16)	162
N14-H14BO1W^vi	0.86	2.25	3.0103 (18)	147
N16-H16BN16^vii	0.86	2.52	3.2036 (17)	137
O1W-H1W1Cl1ⁱⁱⁱ	0.83 (1)	2.26 (1)	3.0614 (12)	163 (2)
O1W-H2W1Cl4^viii	0.83 (1)	2.26 (1)	3.0694 (12)	164 (2)
C37-H37Cg1^ix	0.93	2.81	3.5492 (14)	137
C39-H39Cg1^x	0.93	2.95	3.7306 (14)	142
N2-H2BCg2^xi	0.86	2.75	3.3359 (13)	126
C12-H12Cg3	0.93	2.79	3.6488 (14)	154
C14-H14Cg3^iv	0.93	2.83	3.6193 (13)	144
Symmetry codes: (i) -x+1, -y, -z; (ii) -x+2, -y, -z+1; (iii) -x+1, -y, -z+1; (iv) x-1, y, z; (v) -x+2, -y+1, -z; (vi) -x+1, -y+1, -z+1; (vii) -x+2, -y+2, -z; (viii) -x+2, -y+1, -z+1; (ix) x, y+1, z; (x) x+1, y+1, z; (xi) x-1, y-1, z.

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); 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 and PLATON (Spek, 2003).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI2603 ).

Acknowledgements

HKF and SRJ thank the Malaysian Government and Universiti Sains Malaysia for Science Fund Grant No. 305/PFIZIK/613312. SRJ thanks the Universiti Sains Malaysia for a post-doctoral research fellowship.

References

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