Aqua-(3-formyl-2-oxidobenzoato-κO,O)(1,10-phenanthroline-κN,N')copper(II) dimethyl-formamide solvate.

In the structure of the title complex, [Cu(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)]·C(3)H(7)NO, the Cu(II) ion is penta-coordinated in a distorted square-pyramidal geometry by two O atoms of a 3-formyl-2-oxidobenzoate dianion and two N atoms of a 1,10-phenanthroline ligand occupying the basal plane and a water O atom located at the apical site. The structure displays O-H⋯O hydrogen bonding and inter-molecular π-π stacking inter-actions between 1,10-phenantroline ligands [inter-planar distance of 3.448 (5) Å].

Related literature

For the structure of the methanol solvate of aqua­(3-formyl-2-oxidobenzoato-κ2 O 1,O 2)(1,10-phenanthroline-κ2 N,N′)copper(II), see: Zhang et al. (2008 ▶).

Experimental

Crystal data

[Cu(C8H4O4)(C12H8N2)(H2O)]·C3H7NO

M = 498.97

Triclinic,

a = 9.6936 (6) Å

b = 10.9020 (12) Å

c = 11.2800 (7) Å

α = 103.834 (1)°

β = 109.764 (1)°

γ = 98.604 (1)°

V = 1054.09 (15) Å3

Z = 2

Mo Kα radiation

μ = 1.08 mm−1

T = 296 K

0.39 × 0.35 × 0.28 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.677, T max = 0.751

5440 measured reflections

3687 independent reflections

3452 reflections with I > 2σ(I)

R int = 0.011

Refinement

R[F 2 > 2σ(F 2)] = 0.036

wR(F 2) = 0.112

S = 1.08

3687 reflections

301 parameters

H-atom parameters constrained

Δρmax = 0.81 e Å−3

Δρmin = −0.48 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); 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/S1600536809011659/gk2199sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809011659/gk2199Isup2.hkl

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

[Cu(C8H4O4)(C12H8N2)(H2O)]·C3H7NO	Z = 2
Mr = 498.97	F(000) = 514
Triclinic, P1	Dx = 1.572 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.6936 (6) Å	Cell parameters from 4490 reflections
b = 10.9020 (12) Å	θ = 2.3–28.3°
c = 11.2800 (7) Å	µ = 1.08 mm−1
α = 103.834 (1)°	T = 296 K
β = 109.764 (1)°	Block, green
γ = 98.604 (1)°	0.39 × 0.35 × 0.28 mm
V = 1054.09 (15) Å3

Bruker SMART APEXII CCD area-detector diffractometer	3687 independent reflections
Radiation source: fine-focus sealed tube	3452 reflections with I > 2σ(I)
graphite	Rint = 0.011
φ and ω scans	θmax = 25.0°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −11→11
Tmin = 0.677, Tmax = 0.751	k = −12→12
5440 measured reflections	l = −13→5

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)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.112	H-atom parameters constrained
S = 1.08	w = 1/[σ2(Fo2) + (0.0719P)2 + 0.6371P] where P = (Fo2 + 2Fc2)/3
3687 reflections	(Δ/σ)max < 0.001
301 parameters	Δρmax = 0.81 e Å−3
0 restraints	Δρmin = −0.47 e Å−3
0 constraints

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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 > σ(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
Cu1	0.16328 (3)	0.00556 (3)	0.42283 (3)	0.03264 (14)
O1W	0.3462 (2)	0.1436 (2)	0.3911 (2)	0.0530 (5)
H1WA	0.3993	0.2098	0.4581	0.064*
H1WB	0.4065	0.1074	0.3640	0.064*
N1	0.1623 (2)	−0.1462 (2)	0.2786 (2)	0.0327 (4)
N2	−0.0089 (2)	0.0216 (2)	0.2678 (2)	0.0308 (4)
O1	0.0712 (3)	0.4672 (2)	0.7470 (2)	0.0664 (7)
O2	0.1357 (2)	0.13957 (18)	0.54916 (17)	0.0398 (4)
O3	0.3000 (2)	−0.0508 (2)	0.55253 (18)	0.0448 (5)
O4	0.4950 (2)	−0.0174 (2)	0.73640 (19)	0.0488 (5)
C1	0.2529 (3)	−0.2267 (3)	0.2873 (3)	0.0398 (6)
H1	0.3279	−0.2160	0.3693	0.048*
C2	0.2386 (4)	−0.3274 (3)	0.1765 (3)	0.0464 (7)
H2	0.3035	−0.3824	0.1859	0.056*
C3	0.1309 (3)	−0.3448 (3)	0.0559 (3)	0.0443 (6)
H3	0.1210	−0.4118	−0.0176	0.053*
C4	0.0332 (3)	−0.2596 (2)	0.0429 (2)	0.0359 (6)
C5	−0.0824 (3)	−0.2675 (3)	−0.0794 (3)	0.0459 (7)
H5	−0.0983	−0.3331	−0.1561	0.055*
C6	−0.1692 (3)	−0.1811 (3)	−0.0857 (3)	0.0449 (7)
H6	−0.2427	−0.1875	−0.1669	0.054*
C7	−0.1500 (3)	−0.0799 (3)	0.0307 (2)	0.0364 (6)
C8	−0.2360 (3)	0.0125 (3)	0.0314 (3)	0.0445 (6)
H8	−0.3119	0.0107	−0.0465	0.053*
C9	−0.2064 (3)	0.1058 (3)	0.1490 (3)	0.0460 (7)
H9	−0.2626	0.1677	0.1510	0.055*
C10	−0.0924 (3)	0.1080 (3)	0.2656 (3)	0.0376 (6)
H10	−0.0742	0.1719	0.3442	0.045*
C11	−0.0379 (3)	−0.0707 (2)	0.1520 (2)	0.0302 (5)
C12	0.0550 (3)	−0.1618 (2)	0.1578 (2)	0.0307 (5)
C13	0.0912 (4)	0.3653 (3)	0.6920 (3)	0.0460 (7)
H13	0.0230	0.3205	0.6056	0.055*
C14	0.2124 (3)	0.3076 (2)	0.7494 (3)	0.0353 (6)
C15	0.3105 (3)	0.3681 (3)	0.8826 (3)	0.0432 (6)
H15	0.2961	0.4433	0.9314	0.052*
C16	0.4270 (4)	0.3178 (3)	0.9413 (3)	0.0503 (7)
H16	0.4925	0.3591	1.0292	0.060*
C17	0.4463 (3)	0.2053 (3)	0.8687 (3)	0.0413 (6)
H17	0.5252	0.1713	0.9100	0.050*
C18	0.3532 (3)	0.1408 (2)	0.7370 (2)	0.0314 (5)
C19	0.2317 (3)	0.1921 (2)	0.6732 (2)	0.0308 (5)
C20	0.3865 (3)	0.0178 (3)	0.6722 (2)	0.0340 (5)
C21	0.2290 (5)	0.4426 (5)	0.4552 (4)	0.0845 (12)
H21A	0.2696	0.3733	0.4216	0.127*
H21B	0.2083	0.4936	0.3956	0.127*
H21C	0.1370	0.4063	0.4626	0.127*
C22	0.3128 (7)	0.6469 (4)	0.6359 (6)	0.1041 (18)
H22A	0.4044	0.6995	0.7088	0.156*
H22B	0.2323	0.6350	0.6666	0.156*
H22C	0.2869	0.6897	0.5692	0.156*
N3	0.3350 (3)	0.5228 (3)	0.5809 (2)	0.0490 (6)
C23	0.4569 (4)	0.4849 (4)	0.6420 (4)	0.0633 (9)
H23	0.5258	0.5400	0.7245	0.076*
O5	0.4840 (3)	0.3805 (2)	0.5953 (3)	0.0700 (7)

	U11	U22	U33	U12	U13	U23
Cu1	0.0417 (2)	0.0314 (2)	0.02085 (19)	0.01603 (14)	0.00811 (14)	0.00282 (13)
O1W	0.0483 (11)	0.0443 (11)	0.0639 (14)	0.0135 (9)	0.0265 (10)	0.0044 (10)
N1	0.0378 (11)	0.0313 (11)	0.0256 (10)	0.0106 (9)	0.0101 (9)	0.0051 (8)
N2	0.0345 (10)	0.0324 (10)	0.0259 (10)	0.0096 (8)	0.0121 (8)	0.0084 (8)
O1	0.0850 (17)	0.0556 (14)	0.0610 (14)	0.0422 (13)	0.0300 (13)	0.0051 (11)
O2	0.0464 (10)	0.0414 (10)	0.0252 (9)	0.0210 (8)	0.0080 (8)	0.0017 (7)
O3	0.0598 (12)	0.0410 (10)	0.0261 (9)	0.0268 (9)	0.0061 (8)	0.0038 (8)
O4	0.0499 (11)	0.0577 (12)	0.0329 (10)	0.0296 (10)	0.0074 (9)	0.0066 (9)
C1	0.0441 (14)	0.0377 (14)	0.0369 (14)	0.0175 (12)	0.0148 (12)	0.0074 (11)
C2	0.0518 (17)	0.0425 (15)	0.0467 (16)	0.0213 (13)	0.0221 (14)	0.0070 (13)
C3	0.0533 (16)	0.0370 (14)	0.0407 (15)	0.0119 (12)	0.0244 (13)	−0.0006 (12)
C4	0.0425 (14)	0.0337 (13)	0.0271 (12)	0.0047 (11)	0.0156 (11)	0.0017 (10)
C5	0.0525 (16)	0.0460 (16)	0.0281 (13)	0.0048 (13)	0.0151 (12)	−0.0024 (12)
C6	0.0450 (15)	0.0537 (17)	0.0234 (12)	0.0048 (13)	0.0049 (11)	0.0067 (12)
C7	0.0355 (13)	0.0408 (14)	0.0286 (12)	0.0043 (11)	0.0102 (10)	0.0100 (11)
C8	0.0400 (14)	0.0555 (17)	0.0362 (14)	0.0144 (13)	0.0077 (11)	0.0200 (13)
C9	0.0469 (16)	0.0496 (17)	0.0485 (17)	0.0248 (13)	0.0182 (13)	0.0203 (14)
C10	0.0422 (14)	0.0361 (13)	0.0363 (14)	0.0142 (11)	0.0171 (11)	0.0092 (11)
C11	0.0326 (12)	0.0316 (12)	0.0255 (11)	0.0061 (10)	0.0121 (10)	0.0077 (10)
C12	0.0333 (12)	0.0320 (12)	0.0262 (12)	0.0062 (10)	0.0133 (10)	0.0069 (10)
C13	0.0571 (17)	0.0447 (16)	0.0430 (16)	0.0221 (13)	0.0259 (14)	0.0105 (13)
C14	0.0421 (14)	0.0314 (13)	0.0337 (13)	0.0072 (11)	0.0204 (11)	0.0053 (10)
C15	0.0521 (16)	0.0328 (13)	0.0371 (14)	0.0061 (12)	0.0198 (12)	−0.0034 (11)
C16	0.0530 (17)	0.0463 (16)	0.0326 (14)	0.0055 (13)	0.0094 (13)	−0.0063 (12)
C17	0.0402 (14)	0.0431 (15)	0.0329 (14)	0.0097 (12)	0.0101 (11)	0.0047 (12)
C18	0.0348 (12)	0.0314 (12)	0.0265 (12)	0.0057 (10)	0.0131 (10)	0.0057 (10)
C19	0.0353 (12)	0.0303 (12)	0.0271 (12)	0.0061 (10)	0.0156 (10)	0.0055 (10)
C20	0.0388 (13)	0.0391 (14)	0.0254 (12)	0.0138 (11)	0.0129 (11)	0.0092 (11)
C21	0.072 (3)	0.098 (3)	0.073 (3)	0.031 (2)	0.010 (2)	0.031 (2)
C22	0.140 (5)	0.056 (2)	0.152 (5)	0.046 (3)	0.091 (4)	0.033 (3)
N3	0.0601 (16)	0.0423 (13)	0.0492 (15)	0.0193 (11)	0.0253 (13)	0.0121 (11)
C23	0.062 (2)	0.065 (2)	0.056 (2)	0.0156 (18)	0.0195 (17)	0.0136 (17)
O5	0.0769 (17)	0.0578 (15)	0.0774 (17)	0.0293 (13)	0.0319 (14)	0.0145 (13)

Cu1—O2	1.9012 (18)	C8—C9	1.374 (4)
Cu1—O3	1.9071 (18)	C8—H8	0.9300
Cu1—N1	2.020 (2)	C9—C10	1.394 (4)
Cu1—N2	2.033 (2)	C9—H9	0.9300
Cu1—O1W	2.329 (2)	C10—H10	0.9300
O1W—H1WA	0.8500	C11—C12	1.435 (4)
O1W—H1WB	0.8500	C13—C14	1.448 (4)
N1—C1	1.328 (3)	C13—H13	0.9300
N1—C12	1.359 (3)	C14—C15	1.403 (4)
N2—C10	1.330 (3)	C14—C19	1.421 (3)
N2—C11	1.356 (3)	C15—C16	1.366 (5)
O1—C13	1.215 (4)	C15—H15	0.9300
O2—C19	1.315 (3)	C16—C17	1.379 (4)
O3—C20	1.284 (3)	C16—H16	0.9300
O4—C20	1.231 (3)	C17—C18	1.386 (4)
C1—C2	1.403 (4)	C17—H17	0.9300
C1—H1	0.9300	C18—C19	1.426 (4)
C2—C3	1.354 (4)	C18—C20	1.502 (3)
C2—H2	0.9300	C21—N3	1.408 (5)
C3—C4	1.420 (4)	C21—H21A	0.9600
C3—H3	0.9300	C21—H21B	0.9600
C4—C12	1.395 (3)	C21—H21C	0.9600
C4—C5	1.427 (4)	C22—N3	1.428 (5)
C5—C6	1.352 (4)	C22—H22A	0.9600
C5—H5	0.9300	C22—H22B	0.9600
C6—C7	1.434 (4)	C22—H22C	0.9600
C6—H6	0.9300	N3—C23	1.332 (5)
C7—C11	1.400 (3)	C23—O5	1.240 (4)
C7—C8	1.401 (4)	C23—H23	0.9300
O2—Cu1—O3	94.58 (8)	C9—C10—H10	119.0
O2—Cu1—N1	172.36 (8)	N2—C11—C7	123.8 (2)
O3—Cu1—N1	89.63 (8)	N2—C11—C12	116.4 (2)
O2—Cu1—N2	93.28 (8)	C7—C11—C12	119.8 (2)
O3—Cu1—N2	166.80 (9)	N1—C12—C4	123.4 (2)
N1—Cu1—N2	81.45 (8)	N1—C12—C11	116.5 (2)
O2—Cu1—O1W	95.02 (8)	C4—C12—C11	120.1 (2)
O3—Cu1—O1W	96.84 (9)	O1—C13—C14	125.5 (3)
N1—Cu1—O1W	90.80 (8)	O1—C13—H13	117.2
N2—Cu1—O1W	93.03 (8)	C14—C13—H13	117.2
Cu1—O1W—H1WA	114.5	C15—C14—C19	120.6 (3)
Cu1—O1W—H1WB	115.6	C15—C14—C13	118.5 (2)
H1WA—O1W—H1WB	107.7	C19—C14—C13	121.0 (2)
C1—N1—C12	118.3 (2)	C16—C15—C14	120.7 (3)
C1—N1—Cu1	128.79 (18)	C16—C15—H15	119.6
C12—N1—Cu1	112.92 (16)	C14—C15—H15	119.6
C10—N2—C11	117.8 (2)	C15—C16—C17	119.3 (3)
C10—N2—Cu1	129.47 (18)	C15—C16—H16	120.3
C11—N2—Cu1	112.70 (16)	C17—C16—H16	120.3
C19—O2—Cu1	123.98 (16)	C16—C17—C18	122.8 (3)
C20—O3—Cu1	126.98 (17)	C16—C17—H17	118.6
N1—C1—C2	121.9 (3)	C18—C17—H17	118.6
N1—C1—H1	119.1	C17—C18—C19	118.9 (2)
C2—C1—H1	119.1	C17—C18—C20	116.5 (2)
C3—C2—C1	120.3 (3)	C19—C18—C20	124.5 (2)
C3—C2—H2	119.8	O2—C19—C14	117.8 (2)
C1—C2—H2	119.8	O2—C19—C18	124.5 (2)
C2—C3—C4	119.2 (2)	C14—C19—C18	117.7 (2)
C2—C3—H3	120.4	O4—C20—O3	120.9 (2)
C4—C3—H3	120.4	O4—C20—C18	119.2 (2)
C12—C4—C3	116.9 (2)	O3—C20—C18	119.9 (2)
C12—C4—C5	119.1 (2)	N3—C21—H21A	109.5
C3—C4—C5	124.0 (2)	N3—C21—H21B	109.5
C6—C5—C4	121.1 (2)	H21A—C21—H21B	109.5
C6—C5—H5	119.5	N3—C21—H21C	109.5
C4—C5—H5	119.5	H21A—C21—H21C	109.5
C5—C6—C7	121.1 (2)	H21B—C21—H21C	109.5
C5—C6—H6	119.4	N3—C22—H22A	109.5
C7—C6—H6	119.4	N3—C22—H22B	109.5
C11—C7—C8	117.1 (2)	H22A—C22—H22B	109.5
C11—C7—C6	118.8 (2)	N3—C22—H22C	109.5
C8—C7—C6	124.1 (2)	H22A—C22—H22C	109.5
C9—C8—C7	119.0 (2)	H22B—C22—H22C	109.5
C9—C8—H8	120.5	C23—N3—C21	119.7 (3)
C7—C8—H8	120.5	C23—N3—C22	121.6 (4)
C8—C9—C10	120.3 (3)	C21—N3—C22	118.5 (4)
C8—C9—H9	119.9	O5—C23—N3	123.8 (3)
C10—C9—H9	119.9	O5—C23—H23	118.1
N2—C10—C9	122.1 (2)	N3—C23—H23	118.1
N2—C10—H10	119.0
O3—Cu1—N1—C1	−11.6 (2)	C8—C7—C11—N2	−0.1 (4)
N2—Cu1—N1—C1	178.2 (2)	C6—C7—C11—N2	179.4 (2)
O1W—Cu1—N1—C1	85.2 (2)	C8—C7—C11—C12	−179.5 (2)
O3—Cu1—N1—C12	170.25 (17)	C6—C7—C11—C12	0.0 (3)
N2—Cu1—N1—C12	0.02 (16)	C1—N1—C12—C4	1.3 (4)
O1W—Cu1—N1—C12	−92.91 (17)	Cu1—N1—C12—C4	179.64 (18)
O2—Cu1—N2—C10	6.0 (2)	C1—N1—C12—C11	−178.4 (2)
O3—Cu1—N2—C10	132.5 (3)	Cu1—N1—C12—C11	0.0 (3)
N1—Cu1—N2—C10	−179.5 (2)	C3—C4—C12—N1	−0.6 (4)
O1W—Cu1—N2—C10	−89.2 (2)	C5—C4—C12—N1	−179.8 (2)
O2—Cu1—N2—C11	−174.44 (16)	C3—C4—C12—C11	179.0 (2)
O3—Cu1—N2—C11	−48.0 (4)	C5—C4—C12—C11	−0.1 (4)
N1—Cu1—N2—C11	−0.01 (15)	N2—C11—C12—N1	0.0 (3)
O1W—Cu1—N2—C11	90.35 (16)	C7—C11—C12—N1	179.4 (2)
O3—Cu1—O2—C19	21.4 (2)	N2—C11—C12—C4	−179.7 (2)
N2—Cu1—O2—C19	−169.2 (2)	C7—C11—C12—C4	−0.3 (3)
O1W—Cu1—O2—C19	−75.9 (2)	O1—C13—C14—C15	4.5 (5)
O2—Cu1—O3—C20	−26.0 (2)	O1—C13—C14—C19	−175.7 (3)
N1—Cu1—O3—C20	160.4 (2)	C19—C14—C15—C16	0.5 (4)
N2—Cu1—O3—C20	−152.3 (3)	C13—C14—C15—C16	−179.7 (3)
O1W—Cu1—O3—C20	69.7 (2)	C14—C15—C16—C17	−0.9 (5)
C12—N1—C1—C2	−1.1 (4)	C15—C16—C17—C18	0.8 (5)
Cu1—N1—C1—C2	−179.2 (2)	C16—C17—C18—C19	−0.3 (4)
N1—C1—C2—C3	0.3 (4)	C16—C17—C18—C20	−178.7 (3)
C1—C2—C3—C4	0.3 (4)	Cu1—O2—C19—C14	168.07 (16)
C2—C3—C4—C12	−0.2 (4)	Cu1—O2—C19—C18	−12.3 (3)
C2—C3—C4—C5	178.9 (3)	C15—C14—C19—O2	179.7 (2)
C12—C4—C5—C6	0.8 (4)	C13—C14—C19—O2	−0.1 (4)
C3—C4—C5—C6	−178.3 (3)	C15—C14—C19—C18	0.1 (4)
C4—C5—C6—C7	−1.1 (4)	C13—C14—C19—C18	−179.7 (2)
C5—C6—C7—C11	0.7 (4)	C17—C18—C19—O2	−179.8 (2)
C5—C6—C7—C8	−179.9 (3)	C20—C18—C19—O2	−1.5 (4)
C11—C7—C8—C9	0.0 (4)	C17—C18—C19—C14	−0.2 (3)
C6—C7—C8—C9	−179.4 (3)	C20—C18—C19—C14	178.1 (2)
C7—C8—C9—C10	0.0 (4)	Cu1—O3—C20—O4	−162.1 (2)
C11—N2—C10—C9	−0.2 (4)	Cu1—O3—C20—C18	19.6 (3)
Cu1—N2—C10—C9	179.35 (19)	C17—C18—C20—O4	−2.0 (4)
C8—C9—C10—N2	0.1 (4)	C19—C18—C20—O4	179.7 (2)
C10—N2—C11—C7	0.2 (3)	C17—C18—C20—O3	176.3 (2)
Cu1—N2—C11—C7	−179.38 (18)	C19—C18—C20—O3	−2.0 (4)
C10—N2—C11—C12	179.6 (2)	C21—N3—C23—O5	−0.7 (6)
Cu1—N2—C11—C12	0.0 (3)	C22—N3—C23—O5	−176.8 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WB···O4i	0.85	1.91	2.741 (3)	167
O1W—H1WA···O5	0.85	1.96	2.794 (3)	167

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WB⋯O4i	0.85	1.91	2.741 (3)	167
O1W—H1WA⋯O5	0.85	1.96	2.794 (3)	167

Symmetry code: (i) .