Tetra-aqua-bis-(pyridine-κN)nickel(II) dinitrate.

In the title compound, [Ni(C(5)H(5)N)(2)(H(2)O)(4)](NO(3))(2), the Ni(II) ion is coordinated by two N-bonded pyridine ligands and four water mol-ecules in an octa-hedral coordination mode. The asymmetric unit consists of one Ni(II) ion located on an inversion center, as well as one pyridine ligand, one nitrate anion and two water mol-ecules in general positions. In the crystal structure, the discrete complex cations and nitrate anions are connected by O-H⋯O and C-H⋯O hydrogen bonds.

Related literature

For general background to thermal decomposition reactions as an alternative tool for the discovery and preparation of new ligand-deficient coordination polymers with defined magnetic properties, see: Wriedt & Näther (2009a ▶,b ▶); Wriedt et al. (2009a ▶,b ▶). For a related structure, see: Halut-Desportes (1981 ▶).

Experimental

Crystal data

[Ni(C5H5N)2(H2O)4](NO3)2

M = 412.99

Monoclinic,

a = 7.3245 (4) Å

b = 11.3179 (6) Å

c = 10.9347 (5) Å

β = 96.436 (4)°

V = 900.75 (8) Å3

Z = 2

Mo Kα radiation

μ = 1.13 mm−1

T = 293 K

0.28 × 0.16 × 0.07 mm

Data collection

Stoe IPDS-2 diffractometer

Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2002 ▶) T min = 0.801, T max = 0.927

12828 measured reflections

2427 independent reflections

2087 reflections with I > 2σ(I)

R int = 0.040

Refinement

R[F 2 > 2σ(F 2)] = 0.049

wR(F 2) = 0.129

S = 1.15

2427 reflections

115 parameters

H-atom parameters constrained

Δρmax = 0.32 e Å−3

Δρmin = −0.47 e Å−3

Data collection: X-AREA (Stoe & Cie, 2002 ▶); cell refinement: X-AREA; data reduction: X-AREA; 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.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810021653/hy2315sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810021653/hy2315Isup2.hkl

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

[Ni(C5H5N)2(H2O)4](NO3)2	F(000) = 428
Mr = 412.99	Dx = 1.523 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 12828 reflections
a = 7.3245 (4) Å	θ = 2.6–29.2°
b = 11.3179 (6) Å	µ = 1.13 mm−1
c = 10.9347 (5) Å	T = 293 K
β = 96.436 (4)°	Block, light green
V = 900.75 (8) Å3	0.28 × 0.16 × 0.07 mm
Z = 2

Stoe IPDS-2 diffractometer	2427 independent reflections
Radiation source: fine-focus sealed tube	2087 reflections with I > 2σ(I)
graphite	Rint = 0.040
ω scans	θmax = 29.2°, θmin = 2.6°
Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2002)	h = −10→9
Tmin = 0.801, Tmax = 0.927	k = −15→15
12828 measured reflections	l = −15→14

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.049	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.129	H-atom parameters constrained
S = 1.15	w = 1/[σ2(Fo2) + (0.0554P)2 + 0.6589P] where P = (Fo2 + 2Fc2)/3
2427 reflections	(Δ/σ)max < 0.001
115 parameters	Δρmax = 0.32 e Å−3
0 restraints	Δρmin = −0.46 e Å−3

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ni1	0.5000	0.5000	0.5000	0.03618 (15)
N1	0.6201 (3)	0.32862 (19)	0.4879 (2)	0.0421 (5)
C1	0.5276 (4)	0.2407 (3)	0.4281 (3)	0.0526 (7)
H1	0.4095	0.2555	0.3908	0.063*
C2	0.5994 (6)	0.1285 (3)	0.4191 (4)	0.0678 (9)
H2	0.5305	0.0693	0.3770	0.081*
C3	0.7731 (6)	0.1062 (3)	0.4729 (4)	0.0735 (10)
H3	0.8250	0.0317	0.4676	0.088*
C4	0.8695 (4)	0.1951 (3)	0.5348 (4)	0.0629 (8)
H4	0.9881	0.1819	0.5722	0.076*
C5	0.7896 (4)	0.3040 (3)	0.5412 (3)	0.0486 (6)
H5	0.8560	0.3636	0.5844	0.058*
N2	1.0498 (3)	0.6620 (2)	0.7423 (2)	0.0501 (5)
O1	1.0070 (3)	0.5655 (2)	0.6942 (2)	0.0635 (6)
O2	1.1995 (4)	0.6760 (3)	0.8009 (3)	0.0956 (10)
O3	0.9347 (5)	0.7424 (3)	0.7281 (3)	0.0905 (9)
O4	0.7425 (3)	0.5820 (2)	0.4544 (2)	0.0624 (6)
H1O4	0.7224	0.6435	0.4154	0.094*	0.667
H2O4	0.8088	0.5431	0.4141	0.094*	0.667
H3O4	0.8104	0.5993	0.5166	0.094*	0.667
O5	0.5815 (4)	0.5041 (2)	0.6930 (2)	0.0670 (6)
H1O5	0.5830	0.4380	0.7239	0.101*	0.667
H2O5	0.6849	0.5295	0.7147	0.101*	0.667
H3O5	0.5148	0.5457	0.7304	0.101*	0.667

	U11	U22	U33	U12	U13	U23
Ni1	0.0330 (2)	0.0335 (2)	0.0415 (2)	−0.00085 (16)	0.00174 (15)	−0.00095 (18)
N1	0.0411 (10)	0.0356 (10)	0.0498 (11)	0.0028 (8)	0.0065 (9)	−0.0007 (9)
C1	0.0526 (15)	0.0430 (14)	0.0613 (17)	−0.0008 (12)	0.0017 (13)	−0.0071 (12)
C2	0.083 (2)	0.0423 (16)	0.079 (2)	−0.0013 (15)	0.0110 (18)	−0.0126 (15)
C3	0.080 (2)	0.0451 (17)	0.099 (3)	0.0188 (16)	0.025 (2)	0.0026 (18)
C4	0.0477 (16)	0.0579 (18)	0.085 (2)	0.0131 (14)	0.0137 (15)	0.0159 (17)
C5	0.0403 (13)	0.0465 (14)	0.0595 (16)	0.0008 (11)	0.0069 (11)	0.0062 (12)
N2	0.0541 (13)	0.0526 (14)	0.0443 (11)	−0.0080 (11)	0.0088 (10)	−0.0055 (10)
O1	0.0690 (14)	0.0510 (13)	0.0687 (14)	−0.0078 (10)	−0.0002 (11)	−0.0095 (11)
O2	0.0725 (18)	0.123 (3)	0.0858 (19)	−0.0316 (17)	−0.0137 (15)	−0.0169 (18)
O3	0.104 (2)	0.0689 (17)	0.102 (2)	0.0254 (16)	0.0278 (18)	−0.0123 (15)
O4	0.0518 (12)	0.0568 (13)	0.0788 (15)	−0.0035 (10)	0.0088 (10)	0.0059 (11)
O5	0.0763 (16)	0.0655 (15)	0.0575 (13)	−0.0031 (11)	0.0000 (11)	−0.0016 (11)

Ni1—O4	2.113 (2)	C4—H4	0.9300
Ni1—O5	2.128 (2)	C5—H5	0.9300
Ni1—N1	2.140 (2)	N2—O2	1.216 (4)
N1—C1	1.333 (4)	N2—O1	1.238 (3)
N1—C5	1.340 (3)	N2—O3	1.238 (4)
C1—C2	1.381 (4)	O4—H1O4	0.8200
C1—H1	0.9300	O4—H2O4	0.8200
C2—C3	1.365 (5)	O4—H3O4	0.8200
C2—H2	0.9300	O5—H1O5	0.8200
C3—C4	1.364 (5)	O5—H2O5	0.8200
C3—H3	0.9300	O5—H3O5	0.8200
C4—C5	1.369 (4)
O4—Ni1—O4i	180.00 (11)	C4—C3—C2	118.9 (3)
O4—Ni1—O5i	85.71 (10)	C4—C3—H3	120.6
O4i—Ni1—O5i	94.29 (10)	C2—C3—H3	120.6
O4—Ni1—O5	94.29 (10)	C3—C4—C5	119.3 (3)
O4i—Ni1—O5	85.71 (10)	C3—C4—H4	120.4
O5i—Ni1—O5	180.000 (1)	C5—C4—H4	120.4
O4—Ni1—N1	91.23 (9)	N1—C5—C4	123.1 (3)
O4i—Ni1—N1	88.77 (9)	N1—C5—H5	118.5
O5i—Ni1—N1	89.46 (9)	C4—C5—H5	118.5
O5—Ni1—N1	90.54 (9)	O2—N2—O1	120.5 (3)
O4—Ni1—N1i	88.77 (9)	O2—N2—O3	122.1 (3)
O4i—Ni1—N1i	91.23 (9)	O1—N2—O3	117.3 (3)
O5i—Ni1—N1i	90.54 (9)	Ni1—O4—H1O4	112.9
O5—Ni1—N1i	89.46 (9)	Ni1—O4—H2O4	117.0
N1—Ni1—N1i	180.000 (1)	H1O4—O4—H2O4	105.0
C1—N1—C5	116.9 (2)	Ni1—O4—H3O4	110.9
C1—N1—Ni1	121.15 (19)	H1O4—O4—H3O4	106.6
C5—N1—Ni1	121.94 (19)	H2O4—O4—H3O4	103.5
N1—C1—C2	123.0 (3)	Ni1—O5—H1O5	112.2
N1—C1—H1	118.5	Ni1—O5—H2O5	116.2
C2—C1—H1	118.5	H1O5—O5—H2O5	103.3
C3—C2—C1	118.9 (3)	Ni1—O5—H3O5	113.0
C3—C2—H2	120.6	H1O5—O5—H3O5	107.4
C1—C2—H2	120.6	H2O5—O5—H3O5	103.7

D—H···A	D—H	H···A	D···A	D—H···A
O4—H1O4···O2ii	0.82	2.39	3.209 (4)	174
O4—H2O4···O1iii	0.82	2.26	3.077 (4)	179
O4—H3O4···O1	0.82	2.32	3.087 (3)	157
O5—H1O5···O3iv	0.82	2.28	3.091 (4)	169
O5—H2O5···O1	0.82	2.43	3.191 (4)	155
C2—H2···O1v	0.93	2.50	3.310 (4)	145
C4—H4···O2vi	0.93	2.54	3.461 (4)	170

Table 1

Selected bond lengths (Å)

Ni1—O4	2.113 (2)
Ni1—O5	2.128 (2)
Ni1—N1	2.140 (2)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H1O4⋯O2i	0.82	2.39	3.209 (4)	174
O4—H2O4⋯O1ii	0.82	2.26	3.077 (4)	179
O4—H3O4⋯O1	0.82	2.32	3.087 (3)	157
O5—H1O5⋯O3iii	0.82	2.28	3.091 (4)	169
O5—H2O5⋯O1	0.82	2.43	3.191 (4)	155
C2—H2⋯O1iv	0.93	2.50	3.310 (4)	145
C4—H4⋯O2v	0.93	2.54	3.461 (4)	170

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .