Bis[2-(pyridin-2-yl)ethanol-κN,O]bis-(thio-cyanato-κN)nickel(II).

In the title complex, [Ni(NCS)(2)(C(7)H(9)NO)(2)], the Ni(II) atom is in a distorted octa-hedral coordination environment defined by two N atoms of the two thio-cyanate ions and by the N and O atoms of the two chelating 2-(pyridin-2-yl)ethanol ligands. The complex mol-ecule is located around a crystallographic inversion center. In the crystal, mol-ecules are connected into a two-dimensional polymeric structure parallel to (100) by O-H⋯S hydrogen bonds.

Related literature

For related structures, see: Pan et al. (2007 ▶); Yu et al. (2010 ▶).

Experimental

Crystal data

[Ni(NCS)2(pan class="CellLine">C7H9NO)2]

M = 421.17

Monoclinic,

a = 8.7197 (9) Å

b = 13.8634 (15) Å

c = 7.8655 (7) Å

β = 105.496 (2)°

V = 916.26 (16) Å3

Z = 2

Mo Kα radiation

μ = 1.30 mm−1

T = 298 K

0.42 × 0.41 × 0.40 mm

Data collection

Bruker SMART 1000 CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.611, T max = 0.624

4493 measured reflections

1616 independent reflections

1408 reflections with I > 2σ(I)

R int = 0.020

Refinement

R[F 2 > 2σ(F 2)] = 0.027

wR(F 2) = 0.076

S = 1.07

1616 reflections

115 parameters

5 restraints

H-atom parameters constrained

Δρmax = 0.41 e Å−3

Δρmin = −0.55 e Å−3

Data collection: SMART (Siemens, 1996 ▶); cell refinement: SAINT (Siemens, 1996 ▶); 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.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810046647/gk2318sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810046647/gk2318Isup2.hkl

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

[Ni(NCS)2(C7H9NO)2]	F(000) = 436
Mr = 421.17	Dx = 1.527 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 2904 reflections
a = 8.7197 (9) Å	θ = 2.4–28.0°
b = 13.8634 (15) Å	µ = 1.30 mm−1
c = 7.8655 (7) Å	T = 298 K
β = 105.496 (2)°	Block, blue
V = 916.26 (16) Å3	0.42 × 0.41 × 0.40 mm
Z = 2

Bruker SMART 1000 CCD diffractometer	1616 independent reflections
Radiation source: fine-focus sealed tube	1408 reflections with I > 2σ(I)
graphite	Rint = 0.020
phi and ω scans	θmax = 25.0°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −10→8
Tmin = 0.611, Tmax = 0.624	k = −16→15
4493 measured reflections	l = −7→9

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)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.076	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.0356P)2 + 0.5792P] where P = (Fo2 + 2Fc2)/3
1616 reflections	(Δ/σ)max = 0.001
115 parameters	Δρmax = 0.41 e Å−3
5 restraints	Δρmin = −0.55 e Å−3

	x	y	z	Uiso*/Ueq
Ni1	1.0000	0.5000	0.0000	0.03039 (15)
S1	1.22010 (9)	0.69823 (5)	0.50929 (9)	0.0528 (2)
N1	0.7906 (2)	0.54485 (14)	0.0607 (2)	0.0341 (4)
N2	1.1214 (2)	0.57961 (15)	0.2136 (3)	0.0409 (5)
O1	0.9851 (2)	0.62603 (12)	−0.1523 (2)	0.0415 (4)
H1	1.0793	0.6489	−0.1717	0.050*
C1	0.8438 (3)	0.6798 (2)	−0.2289 (4)	0.0498 (7)
H1A	0.8409	0.6968	−0.3493	0.060*
H1B	0.8448	0.7391	−0.1630	0.060*
C2	0.6971 (3)	0.62185 (19)	−0.2278 (3)	0.0452 (6)
H2A	0.6039	0.6570	−0.2936	0.054*
H2B	0.7005	0.5613	−0.2886	0.054*
C3	0.6788 (3)	0.60033 (17)	−0.0472 (3)	0.0373 (5)
C4	0.5510 (3)	0.6363 (2)	0.0063 (4)	0.0484 (6)
H4	0.4762	0.6754	−0.0692	0.058*
C5	0.5344 (3)	0.6142 (2)	0.1710 (4)	0.0535 (7)
H5	0.4484	0.6374	0.2077	0.064*
C6	0.6478 (3)	0.5570 (2)	0.2799 (4)	0.0499 (7)
H6	0.6397	0.5409	0.3920	0.060*
C7	0.7733 (3)	0.52394 (19)	0.2214 (3)	0.0415 (6)
H7	0.8496	0.4854	0.2963	0.050*
C8	1.1618 (3)	0.62905 (16)	0.3352 (3)	0.0320 (5)

	U11	U22	U33	U12	U13	U23
Ni1	0.0355 (2)	0.0261 (2)	0.0306 (2)	0.00073 (16)	0.01065 (17)	−0.00126 (16)
S1	0.0696 (5)	0.0394 (4)	0.0428 (4)	−0.0032 (3)	0.0034 (3)	−0.0099 (3)
N1	0.0367 (10)	0.0311 (10)	0.0352 (10)	0.0005 (8)	0.0107 (8)	−0.0025 (8)
N2	0.0445 (11)	0.0363 (11)	0.0409 (10)	−0.0004 (9)	0.0100 (9)	−0.0065 (8)
O1	0.0447 (9)	0.0338 (9)	0.0486 (10)	0.0025 (7)	0.0170 (8)	0.0102 (7)
C1	0.0591 (17)	0.0436 (15)	0.0482 (15)	0.0122 (12)	0.0168 (13)	0.0162 (12)
C2	0.0467 (15)	0.0452 (15)	0.0402 (13)	0.0105 (12)	0.0057 (11)	0.0042 (11)
C3	0.0365 (12)	0.0326 (12)	0.0409 (13)	−0.0014 (10)	0.0070 (10)	−0.0048 (10)
C4	0.0398 (13)	0.0425 (15)	0.0630 (17)	0.0045 (12)	0.0137 (12)	−0.0034 (12)
C5	0.0480 (15)	0.0498 (16)	0.0713 (19)	−0.0007 (13)	0.0310 (14)	−0.0105 (14)
C6	0.0558 (16)	0.0530 (16)	0.0485 (15)	−0.0084 (13)	0.0271 (13)	−0.0068 (13)
C7	0.0453 (14)	0.0429 (14)	0.0393 (13)	−0.0025 (11)	0.0163 (11)	0.0006 (11)
C8	0.0324 (12)	0.0273 (11)	0.0361 (11)	0.0002 (9)	0.0087 (9)	0.0011 (7)

Ni1—N2	2.052 (2)	C2—C3	1.501 (3)
Ni1—N1	2.1011 (19)	C2—H2A	0.9700
Ni1—O1	2.1030 (15)	C2—H2B	0.9700
S1—C8	1.637 (2)	C3—C4	1.386 (4)
N1—C7	1.344 (3)	C4—C5	1.375 (4)
N1—C3	1.349 (3)	C4—H4	0.9300
N2—C8	1.153 (3)	C5—C6	1.374 (4)
O1—C1	1.428 (3)	C5—H5	0.9300
O1—H1	0.9300	C6—C7	1.375 (4)
C1—C2	1.513 (4)	C6—H6	0.9300
C1—H1A	0.9700	C7—H7	0.9300
C1—H1B	0.9700
N2i—Ni1—N2	180.00 (9)	O1—C1—H1B	109.5
N2i—Ni1—N1i	86.82 (8)	C2—C1—H1B	109.5
N2—Ni1—N1i	93.18 (8)	H1A—C1—H1B	108.1
N2i—Ni1—N1	93.18 (8)	C3—C2—C1	114.5 (2)
N2—Ni1—N1	86.82 (8)	C3—C2—H2A	108.6
N1i—Ni1—N1	180.0	C1—C2—H2A	108.6
N2i—Ni1—O1	92.32 (7)	C3—C2—H2B	108.6
N2—Ni1—O1	87.68 (7)	C1—C2—H2B	108.6
N1i—Ni1—O1	92.38 (7)	H2A—C2—H2B	107.6
N1—Ni1—O1	87.62 (7)	N1—C3—C4	121.2 (2)
N2i—Ni1—O1i	87.68 (7)	N1—C3—C2	117.8 (2)
N2—Ni1—O1i	92.32 (7)	C4—C3—C2	120.9 (2)
N1i—Ni1—O1i	87.62 (7)	C5—C4—C3	120.1 (3)
N1—Ni1—O1i	92.38 (7)	C5—C4—H4	119.9
O1—Ni1—O1i	180.00 (5)	C3—C4—H4	119.9
C7—N1—C3	118.1 (2)	C6—C5—C4	118.5 (3)
C7—N1—Ni1	118.18 (16)	C6—C5—H5	120.8
C3—N1—Ni1	123.47 (16)	C4—C5—H5	120.8
C8—N2—Ni1	167.28 (19)	C5—C6—C7	119.2 (3)
C1—O1—Ni1	126.06 (15)	C5—C6—H6	120.4
C1—O1—H1	117.0	C7—C6—H6	120.4
Ni1—O1—H1	117.0	N1—C7—C6	122.8 (3)
O1—C1—C2	110.9 (2)	N1—C7—H7	118.6
O1—C1—H1A	109.5	C6—C7—H7	118.6
C2—C1—H1A	109.5	N2—C8—S1	179.3 (2)
N2i—Ni1—N1—C7	121.90 (18)	N1—Ni1—O1—C1	−23.9 (2)
N2—Ni1—N1—C7	−58.10 (18)	O1—C1—C2—C3	65.5 (3)
O1—Ni1—N1—C7	−145.91 (18)	C7—N1—C3—C4	1.0 (3)
O1i—Ni1—N1—C7	34.09 (18)	Ni1—N1—C3—C4	−173.23 (18)
N2i—Ni1—N1—C3	−63.84 (19)	C7—N1—C3—C2	−178.9 (2)
N2—Ni1—N1—C3	116.16 (19)	Ni1—N1—C3—C2	6.9 (3)
O1—Ni1—N1—C3	28.35 (18)	C1—C2—C3—N1	−63.6 (3)
O1i—Ni1—N1—C3	−151.65 (18)	C1—C2—C3—C4	116.5 (3)
N1i—Ni1—N2—C8	176.2 (9)	N1—C3—C4—C5	−1.2 (4)
N1—Ni1—N2—C8	−3.8 (9)	C2—C3—C4—C5	178.7 (2)
O1—Ni1—N2—C8	84.0 (9)	C3—C4—C5—C6	0.7 (4)
O1i—Ni1—N2—C8	−96.0 (9)	C4—C5—C6—C7	0.0 (4)
N2i—Ni1—O1—C1	69.2 (2)	C3—N1—C7—C6	−0.4 (4)
N2—Ni1—O1—C1	−110.8 (2)	Ni1—N1—C7—C6	174.2 (2)
N1i—Ni1—O1—C1	156.1 (2)	C5—C6—C7—N1	−0.1 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···S1ii	0.93	2.66	3.2183 (19)	119

Table 1

Selected bond lengths (Å)

Ni1—N2	2.052 (2)
Ni1—N1	2.1011 (19)
Ni1—O1	2.1030 (15)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯S1i	0.93	2.66	3.2183 (19)	119

Symmetry code: (i) .