catena-Poly[[[bis-(acetato-κ(2)O,O')aqua-cadmium]-μ-[(pyridin-3-yl)(pyridin-4-yl)methanone]-κ(2)N:N'] dihydrate].

In the title complex, {[Cd(CH(3)COO)(2)(C(11)H(8)N(2)O)(H(2)O)]·2H(2)O}(n), the Cd(II) ion adopts an O(5)N(2) penta-gonal-bipyramidal coordination geometry with four acetate O atoms and one water O atom at the equatorial sites and two pyridine N atoms at the axial sites. The (pyridin-3-yl)(pyridin-4-yl)methanone ligand acts in a μ(2)-bridging mode, linking the metal atoms, leading to an infinite chain along [-110]. O-H⋯O hydrogen bonds involving the lattice water mol-ecules connect these chains into a three-dimensional network.

Related literature

For the coordination chemistry of pyridyl-based derivatives, see: Zhao et al. (2004 ▶); Wang et al. (2009 ▶). For background to di-2-pyridinyl­methanone see: Boudalis et al. (2003 ▶). For the transition metal complexes of the positional isomers of di-2-pyridinyl­methanone, see: Chen, Guo et al. (2005 ▶); Chen et al. (2009 ▶); Chen, Du & Mak (2005 ▶); Chen & Mak (2005 ▶); Famum et al. (2009 ▶).

Experimental

Crystal data

[Cd(C2H3O2)2(C11H8N2O)(H2O)]·2H2O

M = 468.73

Triclinic,

a = 8.545 (2) Å

b = 10.699 (3) Å

c = 11.215 (3) Å

α = 76.903 (5)°

β = 87.833 (5)°

γ = 77.160 (5)°

V = 973.5 (5) Å3

Z = 2

Mo Kα radiation

μ = 1.16 mm−1

T = 293 K

0.38 × 0.20 × 0.18 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.840, T max = 1.000

6828 measured reflections

4747 independent reflections

4041 reflections with I > 2σ(I)

R int = 0.023

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.084

S = 1.05

4747 reflections

235 parameters

H-atom parameters constrained

Δρmax = 0.55 e Å−3

Δρmin = −0.33 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: APEX2 and SAINT (Bruker, 2007 ▶); 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 and PLATON (Spek, 2009 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812019101/bt5902sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812019101/bt5902Isup2.hkl

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

[Cd(C2H3O2)2(C11H8N2O)(H2O)]·2H2O	Z = 2
Mr = 468.73	F(000) = 472
Triclinic, P1	Dx = 1.599 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.545 (2) Å	Cell parameters from 215 reflections
b = 10.699 (3) Å	θ = 1.9–28.4°
c = 11.215 (3) Å	µ = 1.16 mm−1
α = 76.903 (5)°	T = 293 K
β = 87.833 (5)°	Block, colorless
γ = 77.160 (5)°	0.38 × 0.20 × 0.18 mm
V = 973.5 (5) Å3

Bruker SMART APEXII CCD area-detector diffractometer	4747 independent reflections
Radiation source: fine-focus sealed tube	4041 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.023
ω scans	θmax = 28.4°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −11→11
Tmin = 0.840, Tmax = 1.000	k = −9→14
6828 measured reflections	l = −14→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)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.084	H-atom parameters constrained
S = 1.05	w = 1/[σ2(Fo2) + (0.0412P)2] P = (Fo2 + 2Fc2)/3
4747 reflections	(Δ/σ)max = 0.001
235 parameters	Δρmax = 0.55 e Å−3
0 restraints	Δρmin = −0.33 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Cd1	0.73166 (2)	0.608007 (18)	0.821278 (16)	0.03377 (8)
N1	0.8989 (3)	0.4149 (2)	0.7726 (2)	0.0405 (6)
N2	1.5508 (3)	−0.2090 (2)	0.8722 (2)	0.0417 (6)
O1	1.1137 (3)	0.0944 (3)	1.0377 (2)	0.0685 (8)
C1	0.9091 (4)	0.4024 (4)	0.6568 (3)	0.0582 (10)
H1A	0.8491	0.4689	0.5971	0.070*
C2	1.0037 (5)	0.2965 (4)	0.6219 (3)	0.0688 (12)
H2A	1.0097	0.2928	0.5398	0.083*
C3	1.0909 (4)	0.1944 (3)	0.7093 (3)	0.0548 (9)
H3A	1.1541	0.1205	0.6875	0.066*
C4	1.0812 (3)	0.2054 (3)	0.8303 (3)	0.0391 (6)
C5	0.9845 (3)	0.3188 (3)	0.8561 (3)	0.0384 (6)
H5A	0.9798	0.3276	0.9369	0.046*
C6	1.1627 (4)	0.0998 (3)	0.9342 (3)	0.0435 (7)
C7	1.4426 (4)	−0.2286 (3)	0.9592 (3)	0.0463 (7)
H7A	1.4505	−0.3132	1.0067	0.056*
C8	1.3195 (4)	−0.1299 (3)	0.9822 (3)	0.0448 (7)
H8A	1.2480	−0.1481	1.0450	0.054*
C9	1.3027 (3)	−0.0036 (3)	0.9114 (2)	0.0380 (6)
C10	1.4176 (4)	0.0188 (3)	0.8233 (3)	0.0462 (7)
H10A	1.4137	0.1028	0.7757	0.055*
C11	1.5389 (4)	−0.0866 (3)	0.8074 (3)	0.0464 (7)
H11A	1.6157	−0.0706	0.7483	0.056*
O5	0.9921 (3)	0.6479 (2)	0.85165 (19)	0.0476 (5)
O2	0.5727 (3)	0.6074 (2)	0.64724 (19)	0.0518 (6)
O3	0.5016 (3)	0.5111 (2)	0.82736 (19)	0.0484 (5)
O4	0.8583 (3)	0.7585 (2)	0.68529 (19)	0.0520 (5)
C14	0.9794 (4)	0.7337 (3)	0.7540 (3)	0.0421 (7)
C15	1.1079 (5)	0.8105 (4)	0.7191 (4)	0.0762 (12)
H15A	1.1939	0.7607	0.6802	0.114*
H15B	1.1481	0.8276	0.7912	0.114*
H15C	1.0637	0.8924	0.6635	0.114*
C12	0.4849 (4)	0.5416 (3)	0.7123 (3)	0.0453 (7)
C13	0.3582 (5)	0.4955 (5)	0.6545 (4)	0.0817 (13)
H13A	0.3583	0.5274	0.5673	0.122*
H13B	0.2548	0.5287	0.6856	0.122*
H13C	0.3807	0.4011	0.6737	0.122*
O3W	0.7517 (3)	0.5164 (3)	1.02658 (19)	0.0601 (7)
O1W	0.7280 (4)	0.9615 (3)	0.4905 (3)	0.0903 (10)
O2W	0.4924 (4)	0.8260 (3)	0.4497 (3)	0.0989 (11)
H2WA	0.5192	0.7528	0.5080	0.148*
H2WB	0.4068	0.8825	0.4682	0.148*
H1WB	0.6774	0.9079	0.4650	0.148*
H3WA	0.8372	0.4677	1.0709	0.148*
H3WB	0.6751	0.5070	1.0818	0.148*
H1WA	0.7817	0.9348	0.5615	0.148*

	U11	U22	U33	U12	U13	U23
Cd1	0.03121 (12)	0.02824 (11)	0.03400 (12)	0.00510 (7)	0.00321 (7)	−0.00279 (8)
N1	0.0415 (13)	0.0352 (13)	0.0381 (12)	0.0071 (10)	−0.0005 (10)	−0.0097 (10)
N2	0.0393 (13)	0.0308 (12)	0.0453 (13)	0.0059 (10)	0.0064 (10)	−0.0027 (10)
O1	0.0837 (19)	0.0541 (15)	0.0451 (12)	0.0237 (13)	0.0146 (12)	−0.0053 (11)
C1	0.062 (2)	0.054 (2)	0.0431 (17)	0.0222 (17)	−0.0081 (15)	−0.0130 (15)
C2	0.079 (3)	0.073 (3)	0.0398 (17)	0.029 (2)	−0.0093 (16)	−0.0260 (17)
C3	0.058 (2)	0.0506 (19)	0.0475 (17)	0.0171 (16)	−0.0052 (15)	−0.0219 (15)
C4	0.0375 (15)	0.0319 (14)	0.0416 (15)	0.0074 (11)	−0.0004 (11)	−0.0103 (12)
C5	0.0388 (15)	0.0332 (15)	0.0380 (14)	0.0055 (12)	0.0028 (11)	−0.0109 (12)
C6	0.0488 (17)	0.0332 (15)	0.0428 (15)	0.0041 (13)	0.0027 (13)	−0.0103 (12)
C7	0.0456 (17)	0.0302 (15)	0.0507 (17)	0.0053 (12)	0.0112 (13)	0.0012 (13)
C8	0.0457 (17)	0.0333 (15)	0.0453 (16)	0.0015 (13)	0.0140 (13)	−0.0002 (13)
C9	0.0393 (15)	0.0320 (14)	0.0362 (14)	0.0058 (11)	0.0024 (11)	−0.0075 (11)
C10	0.0501 (18)	0.0297 (15)	0.0476 (16)	0.0032 (13)	0.0068 (13)	0.0012 (13)
C11	0.0425 (17)	0.0376 (16)	0.0496 (17)	0.0018 (13)	0.0105 (13)	−0.0022 (13)
O5	0.0453 (12)	0.0503 (13)	0.0417 (11)	−0.0059 (10)	−0.0038 (9)	−0.0024 (10)
O2	0.0492 (13)	0.0550 (14)	0.0410 (11)	−0.0053 (11)	0.0027 (9)	0.0038 (10)
O3	0.0477 (12)	0.0551 (14)	0.0379 (11)	−0.0097 (10)	0.0043 (9)	−0.0030 (10)
O4	0.0488 (13)	0.0518 (13)	0.0474 (12)	−0.0076 (10)	−0.0047 (10)	0.0027 (10)
C14	0.0388 (16)	0.0416 (16)	0.0456 (16)	−0.0042 (13)	0.0069 (12)	−0.0149 (14)
C15	0.071 (3)	0.080 (3)	0.085 (3)	−0.039 (2)	0.014 (2)	−0.015 (2)
C12	0.0355 (15)	0.0491 (18)	0.0477 (17)	0.0001 (13)	0.0037 (13)	−0.0129 (14)
C13	0.069 (3)	0.124 (4)	0.070 (3)	−0.035 (3)	0.007 (2)	−0.046 (3)
O3W	0.0433 (12)	0.0789 (18)	0.0368 (11)	0.0075 (12)	0.0039 (9)	0.0095 (11)
O1W	0.110 (3)	0.079 (2)	0.0571 (16)	0.0117 (18)	0.0076 (16)	0.0015 (15)
O2W	0.129 (3)	0.067 (2)	0.0707 (19)	0.0134 (19)	0.0083 (18)	0.0106 (16)

Cd1—O3W	2.286 (2)	C7—H7A	0.9300
Cd1—O4	2.372 (2)	C8—C9	1.383 (4)
Cd1—N2i	2.375 (2)	C8—H8A	0.9300
Cd1—N1	2.398 (2)	C9—C10	1.386 (4)
Cd1—O5	2.408 (2)	C10—C11	1.391 (4)
Cd1—O3	2.410 (2)	C10—H10A	0.9300
Cd1—O2	2.422 (2)	C11—H11A	0.9300
Cd1—C14	2.747 (3)	O5—C14	1.250 (4)
N1—C5	1.323 (3)	O2—C12	1.245 (4)
N1—C1	1.333 (4)	O3—C12	1.262 (4)
N2—C11	1.330 (4)	O4—C14	1.257 (4)
N2—C7	1.332 (4)	C14—C15	1.502 (5)
N2—Cd1ii	2.375 (2)	C15—H15A	0.9600
O1—C6	1.213 (4)	C15—H15B	0.9600
C1—C2	1.364 (5)	C15—H15C	0.9600
C1—H1A	0.9300	C12—C13	1.507 (5)
C2—C3	1.384 (4)	C13—H13A	0.9600
C2—H2A	0.9300	C13—H13B	0.9600
C3—C4	1.386 (4)	C13—H13C	0.9600
C3—H3A	0.9300	O3W—H3WA	0.8900
C4—C5	1.391 (4)	O3W—H3WB	0.8900
C4—C6	1.494 (4)	O1W—H1WB	0.8902
C5—H5A	0.9300	O1W—H1WA	0.8899
C6—C9	1.496 (4)	O2W—H2WA	0.8900
C7—C8	1.378 (4)	O2W—H2WB	0.8900
O3W—Cd1—O4	134.73 (9)	O1—C6—C4	120.6 (3)
O3W—Cd1—N2i	86.76 (9)	O1—C6—C9	118.9 (3)
O4—Cd1—N2i	88.26 (9)	C4—C6—C9	120.5 (2)
O3W—Cd1—N1	92.22 (8)	N2—C7—C8	123.3 (3)
O4—Cd1—N1	95.29 (9)	N2—C7—H7A	118.3
N2i—Cd1—N1	175.86 (9)	C8—C7—H7A	118.3
O3W—Cd1—O5	83.51 (8)	C7—C8—C9	119.7 (3)
O4—Cd1—O5	54.23 (7)	C7—C8—H8A	120.2
N2i—Cd1—O5	103.67 (9)	C9—C8—H8A	120.2
N1—Cd1—O5	80.18 (9)	C8—C9—C10	117.5 (3)
O3W—Cd1—O3	84.81 (8)	C8—C9—C6	118.4 (3)
O4—Cd1—O3	139.62 (7)	C10—C9—C6	124.2 (3)
N2i—Cd1—O3	86.02 (9)	C9—C10—C11	118.9 (3)
N1—Cd1—O3	89.90 (9)	C9—C10—H10A	120.6
O5—Cd1—O3	164.34 (7)	C11—C10—H10A	120.6
O3W—Cd1—O2	138.18 (9)	N2—C11—C10	123.5 (3)
O4—Cd1—O2	87.04 (8)	N2—C11—H11A	118.3
N2i—Cd1—O2	93.99 (9)	C10—C11—H11A	118.3
N1—Cd1—O2	84.09 (8)	C14—O5—Cd1	91.75 (18)
O5—Cd1—O2	136.00 (7)	C12—O2—Cd1	92.67 (19)
O3—Cd1—O2	53.64 (7)	C12—O3—Cd1	92.80 (19)
O3W—Cd1—C14	109.10 (9)	C14—O4—Cd1	93.23 (18)
O4—Cd1—C14	27.19 (8)	O5—C14—O4	120.7 (3)
N2i—Cd1—C14	96.00 (9)	O5—C14—C15	120.0 (3)
N1—Cd1—C14	88.13 (9)	O4—C14—C15	119.3 (3)
O5—Cd1—C14	27.06 (8)	O5—C14—Cd1	61.19 (16)
O3—Cd1—C14	166.01 (8)	O4—C14—Cd1	59.58 (16)
O2—Cd1—C14	112.38 (8)	C15—C14—Cd1	176.2 (2)
C5—N1—C1	117.5 (2)	C14—C15—H15A	109.5
C5—N1—Cd1	122.83 (18)	C14—C15—H15B	109.5
C1—N1—Cd1	119.61 (19)	H15A—C15—H15B	109.5
C11—N2—C7	117.1 (2)	C14—C15—H15C	109.5
C11—N2—Cd1ii	122.53 (19)	H15A—C15—H15C	109.5
C7—N2—Cd1ii	119.83 (19)	H15B—C15—H15C	109.5
N1—C1—C2	122.9 (3)	O2—C12—O3	120.8 (3)
N1—C1—H1A	118.5	O2—C12—C13	120.3 (3)
C2—C1—H1A	118.5	O3—C12—C13	118.9 (3)
C1—C2—C3	119.8 (3)	C12—C13—H13A	109.5
C1—C2—H2A	120.1	C12—C13—H13B	109.5
C3—C2—H2A	120.1	H13A—C13—H13B	109.5
C2—C3—C4	118.1 (3)	C12—C13—H13C	109.5
C2—C3—H3A	120.9	H13A—C13—H13C	109.5
C4—C3—H3A	120.9	H13B—C13—H13C	109.5
C3—C4—C5	117.8 (3)	Cd1—O3W—H3WA	129.2
C3—C4—C6	123.5 (3)	Cd1—O3W—H3WB	130.0
C5—C4—C6	118.6 (2)	H3WA—O3W—H3WB	100.0
N1—C5—C4	123.9 (3)	H1WB—O1W—H1WA	120.0
N1—C5—H5A	118.1	H2WA—O2W—H2WB	113.1
C4—C5—H5A	118.1
O3W—Cd1—N1—C5	−12.4 (3)	O3W—Cd1—O2—C12	5.4 (2)
O4—Cd1—N1—C5	122.9 (3)	O4—Cd1—O2—C12	−172.26 (19)
N2i—Cd1—N1—C5	−88.0 (11)	N2i—Cd1—O2—C12	−84.20 (19)
O5—Cd1—N1—C5	70.6 (2)	N1—Cd1—O2—C12	92.11 (19)
O3—Cd1—N1—C5	−97.2 (3)	O5—Cd1—O2—C12	161.38 (17)
O2—Cd1—N1—C5	−150.6 (3)	O3—Cd1—O2—C12	−2.13 (17)
C14—Cd1—N1—C5	96.7 (3)	C14—Cd1—O2—C12	177.63 (18)
O3W—Cd1—N1—C1	168.4 (3)	O3W—Cd1—O3—C12	−172.87 (19)
O4—Cd1—N1—C1	−56.3 (3)	O4—Cd1—O3—C12	17.4 (2)
N2i—Cd1—N1—C1	92.7 (11)	N2i—Cd1—O3—C12	100.03 (19)
O5—Cd1—N1—C1	−108.6 (3)	N1—Cd1—O3—C12	−80.64 (19)
O3—Cd1—N1—C1	83.6 (3)	O5—Cd1—O3—C12	−131.0 (3)
O2—Cd1—N1—C1	30.1 (3)	O2—Cd1—O3—C12	2.10 (17)
C14—Cd1—N1—C1	−82.6 (3)	C14—Cd1—O3—C12	1.2 (4)
C5—N1—C1—C2	−0.4 (6)	O3W—Cd1—O4—C14	23.0 (2)
Cd1—N1—C1—C2	178.9 (4)	N2i—Cd1—O4—C14	106.73 (19)
N1—C1—C2—C3	1.8 (7)	N1—Cd1—O4—C14	−75.40 (19)
C1—C2—C3—C4	−1.5 (7)	O5—Cd1—O4—C14	−1.53 (16)
C2—C3—C4—C5	−0.1 (6)	O3—Cd1—O4—C14	−171.49 (16)
C2—C3—C4—C6	177.0 (4)	O2—Cd1—O4—C14	−159.18 (19)
C1—N1—C5—C4	−1.3 (5)	Cd1—O5—C14—O4	−2.7 (3)
Cd1—N1—C5—C4	179.4 (2)	Cd1—O5—C14—C15	175.8 (3)
C3—C4—C5—N1	1.6 (5)	Cd1—O4—C14—O5	2.8 (3)
C6—C4—C5—N1	−175.7 (3)	Cd1—O4—C14—C15	−175.8 (3)
C3—C4—C6—O1	−156.8 (4)	O3W—Cd1—C14—O5	19.8 (2)
C5—C4—C6—O1	20.3 (5)	O4—Cd1—C14—O5	−177.3 (3)
C3—C4—C6—C9	21.1 (5)	N2i—Cd1—C14—O5	108.46 (18)
C5—C4—C6—C9	−161.8 (3)	N1—Cd1—C14—O5	−71.88 (18)
C11—N2—C7—C8	1.5 (5)	O3—Cd1—C14—O5	−153.9 (3)
Cd1ii—N2—C7—C8	−170.5 (3)	O2—Cd1—C14—O5	−154.70 (17)
N2—C7—C8—C9	1.3 (5)	O3W—Cd1—C14—O4	−162.90 (17)
C7—C8—C9—C10	−3.2 (5)	N2i—Cd1—C14—O4	−74.26 (19)
C7—C8—C9—C6	176.7 (3)	N1—Cd1—C14—O4	105.40 (19)
O1—C6—C9—C8	33.5 (5)	O5—Cd1—C14—O4	177.3 (3)
C4—C6—C9—C8	−144.4 (3)	O3—Cd1—C14—O4	23.4 (4)
O1—C6—C9—C10	−146.6 (4)	O2—Cd1—C14—O4	22.6 (2)
C4—C6—C9—C10	35.5 (5)	O3W—Cd1—C14—C15	−89 (4)
C8—C9—C10—C11	2.5 (5)	O4—Cd1—C14—C15	74 (4)
C6—C9—C10—C11	−177.4 (3)	N2i—Cd1—C14—C15	−1 (4)
C7—N2—C11—C10	−2.2 (5)	N1—Cd1—C14—C15	179 (100)
Cd1ii—N2—C11—C10	169.5 (3)	O5—Cd1—C14—C15	−109 (4)
C9—C10—C11—N2	0.3 (5)	O3—Cd1—C14—C15	97 (4)
O3W—Cd1—O5—C14	−161.18 (19)	O2—Cd1—C14—C15	96 (4)
O4—Cd1—O5—C14	1.54 (17)	Cd1—O2—C12—O3	3.8 (3)
N2i—Cd1—O5—C14	−76.13 (19)	Cd1—O2—C12—C13	−175.3 (3)
N1—Cd1—O5—C14	105.42 (18)	Cd1—O3—C12—O2	−3.8 (3)
O3—Cd1—O5—C14	156.8 (2)	Cd1—O3—C12—C13	175.3 (3)
O2—Cd1—O5—C14	34.7 (2)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O4	0.89	2.06	2.773 (2)	136
O1W—H1WB···O2w	0.89	2.00	2.834 (3)	155
O2W—H2WA···O2	0.89	1.93	2.811 (4)	173
O2W—H2WB···O1wiii	0.89	1.95	2.803 (2)	162
O3W—H3WA···O5iv	0.89	1.80	2.679 (2)	172
O3W—H3WB···O3v	0.89	1.81	2.693 (3)	170

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WA⋯O4	0.89	2.06	2.773 (2)	136
O1W—H1WB⋯O2w	0.89	2.00	2.834 (3)	155
O2W—H2WA⋯O2	0.89	1.93	2.811 (4)	173
O2W—H2WB⋯O1wi	0.89	1.95	2.803 (2)	162
O3W—H3WA⋯O5ii	0.89	1.80	2.679 (2)	172
O3W—H3WB⋯O3iii	0.89	1.81	2.693 (3)	170

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