Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κN,N,N,N)copper(II) dihepta-noate dihydrate.

The Cu(II) atom in the title salt, [Cu(C(10)H(24)N(4))(H(2)O)(2)][CH(3)(CH(2))(5)CO(2)](2)·2H(2)O, is chelated by the four N atoms of the 1,4,8,11-tetra-aza-cyclo-tetra-decane (cyclam) ligand and is coordinated by two water mol-ecules in a tetra-gonally Jahn-Teller-distorted octa-hedral geometry. The Cu(II) atom lies on a center of inversion. The cations, anions and uncoordinated water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a layer structure parallel to (100). The alkyl chain of the anion is disordered over two positions in a 0.82 (1):0.18 (1) ratio.

Related literature

For related diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)copper carboxyl­ates, see: Lindoy et al. (2003 ▶); Hunter et al. (2005 ▶).

Experimental

Crystal data

[Cu(C10H24N4)(H2O)2](C7H13O2)2·2H2O

M = 594.28

Monoclinic,

a = 11.7257 (6) Å

b = 9.9426 (5) Å

c = 13.4573 (7) Å

β = 103.1363 (7)°

V = 1527.85 (14) Å3

Z = 2

Mo Kα radiation

μ = 0.76 mm−1

T = 100 K

0.35 × 0.25 × 0.15 mm

Data collection

Bruker SMART APEX diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.776, T max = 0.894

14358 measured reflections

3506 independent reflections

3140 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.079

S = 1.06

3506 reflections

212 parameters

12 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.81 e Å−3

Δρmin = −0.31 e Å−3

Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810025687/bt5285sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810025687/bt5285Isup2.hkl

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

[Cu(C10H24N4)(H2O)2](C7H13O2)2·2H2O	F(000) = 646
Mr = 594.28	Dx = 1.292 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 8003 reflections
a = 11.7257 (6) Å	θ = 2.6–28.3°
b = 9.9426 (5) Å	µ = 0.76 mm−1
c = 13.4573 (7) Å	T = 100 K
β = 103.1363 (7)°	Block, purple
V = 1527.85 (14) Å3	0.35 × 0.25 × 0.15 mm
Z = 2

Bruker SMART APEX diffractometer	3506 independent reflections
Radiation source: fine-focus sealed tube	3140 reflections with I > 2σ(I)
graphite	Rint = 0.022
ω scans	θmax = 27.5°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −15→15
Tmin = 0.776, Tmax = 0.894	k = −12→12
14358 measured reflections	l = −17→17

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)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.079	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ2(Fo2) + (0.0406P)2 + 0.7328P] where P = (Fo2 + 2Fc2)/3
3506 reflections	(Δ/σ)max = 0.001
212 parameters	Δρmax = 0.81 e Å−3
12 restraints	Δρmin = −0.31 e Å−3

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cu1	0.5000	0.5000	0.5000	0.01672 (8)
O1	0.37230 (9)	0.57029 (10)	0.88828 (7)	0.0254 (2)
O2	0.35970 (10)	0.48007 (10)	0.73553 (8)	0.0260 (2)
O1W	0.35364 (10)	0.35174 (11)	0.55509 (8)	0.0262 (2)
H11	0.3445 (19)	0.378 (2)	0.6109 (10)	0.047 (6)*
H12	0.3586 (17)	0.2684 (10)	0.5589 (15)	0.035 (5)*
O2W	0.38768 (10)	0.07550 (11)	0.57173 (8)	0.0272 (2)
H21	0.372 (2)	0.031 (2)	0.5184 (11)	0.045 (6)*
H22	0.4606 (9)	0.070 (2)	0.5895 (16)	0.046 (6)*
N1	0.62254 (10)	0.35391 (11)	0.53855 (9)	0.0196 (2)
H1	0.5925 (14)	0.2927 (14)	0.5699 (12)	0.025 (4)*
N2	0.54008 (11)	0.58808 (11)	0.63930 (8)	0.0196 (2)
H2	0.5052 (14)	0.5435 (16)	0.6783 (11)	0.022 (4)*
C1	0.73634 (13)	0.39280 (15)	0.60465 (11)	0.0246 (3)
H1A	0.7760	0.4571	0.5676	0.030*
H1B	0.7866	0.3120	0.6205	0.030*
C2	0.72217 (14)	0.45693 (16)	0.70380 (11)	0.0267 (3)
H2A	0.8003	0.4645	0.7507	0.032*
H2B	0.6740	0.3967	0.7363	0.032*
C3	0.66565 (13)	0.59536 (15)	0.69082 (10)	0.0242 (3)
H3A	0.6738	0.6376	0.7587	0.029*
H3B	0.7070	0.6528	0.6502	0.029*
C4	0.48410 (14)	0.72262 (14)	0.62714 (11)	0.0244 (3)
H4A	0.5314	0.7860	0.5964	0.029*
H4B	0.4781	0.7584	0.6944	0.029*
C5	0.36356 (13)	0.70700 (14)	0.55851 (10)	0.0231 (3)
H5A	0.3146	0.6484	0.5914	0.028*
H5B	0.3249	0.7958	0.5453	0.028*
C6	0.31775 (13)	0.50923 (13)	0.80991 (11)	0.0203 (3)
C7	0.18993 (17)	0.4746 (2)	0.81018 (17)	0.0289 (5)	0.822 (3)
H7A	0.1856	0.3788	0.8288	0.035*	0.822 (3)
H7B	0.1655	0.5291	0.8634	0.035*	0.822 (3)
C8	0.10391 (17)	0.49936 (19)	0.70811 (18)	0.0318 (5)	0.822 (3)
H8A	0.1308	0.4489	0.6542	0.038*	0.822 (3)
H8B	0.0263	0.4633	0.7119	0.038*	0.822 (3)
C9	0.09044 (18)	0.6455 (2)	0.67784 (15)	0.0299 (5)	0.822 (3)
H9A	0.1691	0.6840	0.6812	0.036*	0.822 (3)
H9B	0.0556	0.6942	0.7279	0.036*	0.822 (3)
C10	0.01464 (18)	0.6690 (2)	0.57143 (18)	0.0357 (5)	0.822 (3)
H10A	0.0433	0.6106	0.5227	0.043*	0.822 (3)
H10B	−0.0665	0.6411	0.5709	0.043*	0.822 (3)
C11	0.01253 (18)	0.8120 (3)	0.53458 (18)	0.0402 (6)	0.822 (3)
H11A	0.0928	0.8384	0.5306	0.048*	0.822 (3)
H11B	−0.0118	0.8714	0.5851	0.048*	0.822 (3)
C12	−0.0696 (3)	0.8339 (5)	0.4308 (2)	0.0541 (9)	0.822 (3)
H12A	−0.0671	0.9286	0.4112	0.081*	0.822 (3)
H12B	−0.1497	0.8101	0.4344	0.081*	0.822 (3)
H12C	−0.0450	0.7771	0.3799	0.081*	0.822 (3)
C7'	0.2043 (7)	0.4295 (9)	0.7967 (10)	0.0289 (5)	0.18
H7'1	0.1981	0.3868	0.8617	0.035*	0.178 (3)
H7'2	0.1995	0.3589	0.7441	0.035*	0.178 (3)
C8'	0.1079 (7)	0.5358 (9)	0.7631 (8)	0.0318 (5)	0.18
H8'1	0.0302	0.4928	0.7548	0.038*	0.178 (3)
H8'2	0.1152	0.6057	0.8165	0.038*	0.178 (3)
C9'	0.1167 (9)	0.6010 (11)	0.6632 (7)	0.0299 (5)	0.18
H9'1	0.1238	0.5297	0.6137	0.036*	0.178 (3)
H9'2	0.1889	0.6561	0.6750	0.036*	0.178 (3)
C10'	0.0116 (8)	0.6905 (12)	0.6166 (8)	0.0357 (5)	0.18
H10C	−0.0619	0.6384	0.6088	0.043*	0.178 (3)
H10D	0.0080	0.7676	0.6624	0.043*	0.178 (3)
C11'	0.0239 (9)	0.7419 (15)	0.5123 (8)	0.0402 (6)	0.18
H11C	0.0363	0.6646	0.4696	0.048*	0.178 (3)
H11D	0.0934	0.8010	0.5215	0.048*	0.178 (3)
C12'	−0.0852 (14)	0.820 (3)	0.4572 (14)	0.0541 (9)	0.18
H12D	−0.0733	0.8539	0.3918	0.081*	0.178 (3)
H12E	−0.0983	0.8964	0.4996	0.081*	0.178 (3)
H12F	−0.1536	0.7608	0.4450	0.081*	0.178 (3)

	U11	U22	U33	U12	U13	U23
Cu1	0.02403 (13)	0.01387 (12)	0.01321 (12)	−0.00126 (8)	0.00619 (9)	−0.00200 (7)
O1	0.0350 (6)	0.0224 (5)	0.0193 (5)	0.0001 (4)	0.0071 (4)	−0.0030 (4)
O2	0.0375 (6)	0.0262 (5)	0.0170 (5)	−0.0036 (4)	0.0114 (4)	−0.0006 (4)
O1W	0.0414 (6)	0.0197 (5)	0.0214 (5)	−0.0041 (4)	0.0155 (5)	−0.0017 (4)
O2W	0.0334 (6)	0.0254 (5)	0.0243 (5)	0.0020 (4)	0.0098 (5)	−0.0037 (4)
N1	0.0278 (6)	0.0160 (5)	0.0168 (5)	−0.0017 (4)	0.0087 (5)	0.0008 (4)
N2	0.0286 (6)	0.0164 (5)	0.0154 (5)	−0.0036 (4)	0.0086 (5)	−0.0012 (4)
C1	0.0262 (7)	0.0244 (7)	0.0236 (7)	0.0000 (6)	0.0062 (6)	0.0026 (5)
C2	0.0281 (7)	0.0309 (7)	0.0195 (7)	−0.0030 (6)	0.0023 (6)	0.0020 (6)
C3	0.0296 (7)	0.0261 (7)	0.0167 (6)	−0.0071 (6)	0.0048 (5)	−0.0043 (5)
C4	0.0397 (8)	0.0157 (6)	0.0200 (7)	−0.0013 (6)	0.0114 (6)	−0.0040 (5)
C5	0.0348 (8)	0.0175 (6)	0.0201 (7)	0.0028 (5)	0.0129 (6)	0.0003 (5)
C6	0.0256 (7)	0.0181 (6)	0.0180 (6)	−0.0008 (5)	0.0067 (5)	0.0044 (5)
C7	0.0285 (9)	0.0325 (12)	0.0286 (11)	−0.0059 (9)	0.0126 (7)	0.0039 (9)
C8	0.0227 (9)	0.0334 (11)	0.0399 (13)	−0.0077 (7)	0.0084 (9)	−0.0050 (8)
C9	0.0235 (10)	0.0395 (13)	0.0263 (10)	−0.0052 (8)	0.0048 (7)	−0.0021 (8)
C10	0.0227 (8)	0.0492 (12)	0.0325 (12)	−0.0052 (8)	0.0008 (9)	−0.0009 (10)
C11	0.0225 (9)	0.0668 (17)	0.0313 (11)	0.0054 (11)	0.0064 (8)	0.0068 (11)
C12	0.0371 (14)	0.0795 (19)	0.039 (2)	0.0062 (13)	−0.0047 (11)	0.0093 (15)
C7'	0.0285 (9)	0.0325 (12)	0.0286 (11)	−0.0059 (9)	0.0126 (7)	0.0039 (9)
C8'	0.0227 (9)	0.0334 (11)	0.0399 (13)	−0.0077 (7)	0.0084 (9)	−0.0050 (8)
C9'	0.0235 (10)	0.0395 (13)	0.0263 (10)	−0.0052 (8)	0.0048 (7)	−0.0021 (8)
C10'	0.0227 (8)	0.0492 (12)	0.0325 (12)	−0.0052 (8)	0.0008 (9)	−0.0009 (10)
C11'	0.0225 (9)	0.0668 (17)	0.0313 (11)	0.0054 (11)	0.0064 (8)	0.0068 (11)
C12'	0.0371 (14)	0.0795 (19)	0.039 (2)	0.0062 (13)	−0.0047 (11)	0.0093 (15)

Cu1—N1	2.026 (1)	C7—H7B	0.9900
Cu1—N2	2.025 (1)	C8—C9	1.507 (3)
Cu1—N2i	2.025 (1)	C8—H8A	0.9900
Cu1—N1i	2.026 (1)	C8—H8B	0.9900
Cu1—O1w	2.499 (1)	C9—C10	1.522 (3)
O1—C6	1.2584 (18)	C9—H9A	0.9900
O2—C6	1.2456 (18)	C9—H9B	0.9900
O1W—H11	0.826 (10)	C10—C11	1.504 (3)
O1W—H12	0.831 (9)	C10—H10A	0.9900
O2W—H21	0.829 (10)	C10—H10B	0.9900
O2W—H22	0.836 (10)	C11—C12	1.521 (3)
N1—C1	1.4771 (19)	C11—H11A	0.9900
N1—C5i	1.4818 (17)	C11—H11B	0.9900
N1—H1	0.860 (9)	C12—H12A	0.9800
N2—C3	1.4798 (18)	C12—H12B	0.9800
N2—C4	1.4827 (18)	C12—H12C	0.9800
N2—H2	0.858 (9)	C7'—C8'	1.539 (9)
C1—C2	1.521 (2)	C7'—H7'1	0.9900
C1—H1A	0.9900	C7'—H7'2	0.9900
C1—H1B	0.9900	C8'—C9'	1.516 (8)
C2—C3	1.520 (2)	C8'—H8'1	0.9900
C2—H2A	0.9900	C8'—H8'2	0.9900
C2—H2B	0.9900	C9'—C10'	1.535 (9)
C3—H3A	0.9900	C9'—H9'1	0.9900
C3—H3B	0.9900	C9'—H9'2	0.9900
C4—C5	1.511 (2)	C10'—C11'	1.531 (9)
C4—H4A	0.9900	C10'—H10C	0.9900
C4—H4B	0.9900	C10'—H10D	0.9900
C5—N1i	1.4818 (17)	C11'—C12'	1.538 (9)
C5—H5A	0.9900	C11'—H11C	0.9900
C5—H5B	0.9900	C11'—H11D	0.9900
C6—C7'	1.524 (8)	C12'—H12D	0.9800
C6—C7	1.539 (2)	C12'—H12E	0.9800
C7—C8	1.528 (3)	C12'—H12F	0.9800
C7—H7A	0.9900
N2—Cu1—N2i	180.0	H7A—C7—H7B	107.7
N2—Cu1—N1i	85.92 (5)	C9—C8—C7	113.91 (17)
N2i—Cu1—N1i	94.08 (5)	C9—C8—H8A	108.8
N2—Cu1—N1	94.08 (5)	C7—C8—H8A	108.8
N2i—Cu1—N1	85.92 (5)	C9—C8—H8B	108.8
N1i—Cu1—N1	180.0	C7—C8—H8B	108.8
N2—Cu1—O1W	90.63 (4)	H8A—C8—H8B	107.7
N2i—Cu1—O1W	89.37 (4)	C8—C9—C10	113.94 (18)
N1i—Cu1—O1W	90.23 (4)	C8—C9—H9A	108.8
N1—Cu1—O1W	89.77 (4)	C10—C9—H9A	108.8
Cu1—O1W—H11	108.7 (16)	C8—C9—H9B	108.8
Cu1—O1W—H12	124.3 (14)	C10—C9—H9B	108.8
H11—O1W—H12	106 (2)	H9A—C9—H9B	107.7
H21—O2W—H22	103 (2)	C11—C10—C9	114.72 (19)
C1—N1—C5i	111.88 (11)	C11—C10—H10A	108.6
C1—N1—Cu1	117.23 (9)	C9—C10—H10A	108.6
C5i—N1—Cu1	106.32 (8)	C11—C10—H10B	108.6
C1—N1—H1	107.7 (12)	C9—C10—H10B	108.6
C5i—N1—H1	106.4 (12)	H10A—C10—H10B	107.6
Cu1—N1—H1	106.7 (12)	C10—C11—C12	113.4 (3)
C3—N2—C4	112.08 (11)	C10—C11—H11A	108.9
C3—N2—Cu1	116.85 (9)	C12—C11—H11A	108.9
C4—N2—Cu1	106.51 (8)	C10—C11—H11B	108.9
C3—N2—H2	107.5 (12)	C12—C11—H11B	108.9
C4—N2—H2	105.9 (12)	H11A—C11—H11B	107.7
Cu1—N2—H2	107.4 (12)	C11—C12—H12A	109.5
N1—C1—C2	111.97 (12)	C11—C12—H12B	109.5
N1—C1—H1A	109.2	H12A—C12—H12B	109.5
C2—C1—H1A	109.2	C11—C12—H12C	109.5
N1—C1—H1B	109.2	H12A—C12—H12C	109.5
C2—C1—H1B	109.2	H12B—C12—H12C	109.5
H1A—C1—H1B	107.9	C6—C7'—C8'	103.9 (6)
C1—C2—C3	114.22 (12)	C6—C7'—H7'1	111.0
C1—C2—H2A	108.7	C8'—C7'—H7'1	111.0
C3—C2—H2A	108.7	C6—C7'—H7'2	111.0
C1—C2—H2B	108.7	C8'—C7'—H7'2	111.0
C3—C2—H2B	108.7	H7'1—C7'—H7'2	109.0
H2A—C2—H2B	107.6	C9'—C8'—C7'	111.2 (8)
N2—C3—C2	111.77 (11)	C9'—C8'—H8'1	109.4
N2—C3—H3A	109.3	C7'—C8'—H8'1	109.4
C2—C3—H3A	109.3	C9'—C8'—H8'2	109.4
N2—C3—H3B	109.3	C7'—C8'—H8'2	109.4
C2—C3—H3B	109.3	H8'1—C8'—H8'2	108.0
H3A—C3—H3B	107.9	C8'—C9'—C10'	113.6 (8)
N2—C4—C5	107.69 (11)	C8'—C9'—H9'1	108.9
N2—C4—H4A	110.2	C10'—C9'—H9'1	108.9
C5—C4—H4A	110.2	C8'—C9'—H9'2	108.9
N2—C4—H4B	110.2	C10'—C9'—H9'2	108.9
C5—C4—H4B	110.2	H9'1—C9'—H9'2	107.7
H4A—C4—H4B	108.5	C11'—C10'—C9'	109.5 (8)
N1i—C5—C4	107.82 (11)	C11'—C10'—H10C	109.8
N1i—C5—H5A	110.1	C9'—C10'—H10C	109.8
C4—C5—H5A	110.1	C11'—C10'—H10D	109.8
N1i—C5—H5B	110.1	C9'—C10'—H10D	109.8
C4—C5—H5B	110.1	H10C—C10'—H10D	108.2
H5A—C5—H5B	108.5	C10'—C11'—C12'	111.7 (10)
O2—C6—O1	124.58 (14)	C10'—C11'—H11C	109.3
O2—C6—C7'	106.2 (5)	C12'—C11'—H11C	109.3
O1—C6—C7'	127.8 (5)	C10'—C11'—H11D	109.3
O2—C6—C7	120.84 (14)	C12'—C11'—H11D	109.3
O1—C6—C7	114.56 (14)	H11C—C11'—H11D	107.9
C7'—C6—C7	19.8 (4)	C11'—C12'—H12D	109.5
C8—C7—C6	113.97 (16)	C11'—C12'—H12E	109.5
C8—C7—H7A	108.8	H12D—C12'—H12E	109.5
C6—C7—H7A	108.8	C11'—C12'—H12F	109.5
C8—C7—H7B	108.8	H12D—C12'—H12F	109.5
C6—C7—H7B	108.8	H12E—C12'—H12F	109.5
N2—Cu1—N1—C1	−38.82 (10)	C3—N2—C4—C5	170.38 (11)
N2i—Cu1—N1—C1	141.18 (10)	Cu1—N2—C4—C5	41.42 (12)
O1W—Cu1—N1—C1	−129.43 (9)	N2—C4—C5—N1i	−56.62 (14)
N2—Cu1—N1—C5i	−164.78 (9)	O2—C6—C7—C8	−40.9 (2)
N2i—Cu1—N1—C5i	15.22 (9)	O1—C6—C7—C8	137.52 (16)
O1W—Cu1—N1—C5i	104.60 (9)	C7'—C6—C7—C8	−86.5 (15)
N1i—Cu1—N2—C3	−140.76 (10)	C6—C7—C8—C9	−66.1 (2)
N1—Cu1—N2—C3	39.24 (10)	C7—C8—C9—C10	174.03 (18)
O1W—Cu1—N2—C3	129.05 (9)	C8—C9—C10—C11	−172.59 (19)
N1i—Cu1—N2—C4	−14.63 (9)	C9—C10—C11—C12	−176.5 (2)
N1—Cu1—N2—C4	165.37 (9)	O2—C6—C7'—C8'	−105.8 (7)
O1W—Cu1—N2—C4	−104.81 (9)	O1—C6—C7'—C8'	87.6 (8)
C5i—N1—C1—C2	179.31 (11)	C7—C6—C7'—C8'	34.5 (10)
Cu1—N1—C1—C2	56.13 (14)	C6—C7'—C8'—C9'	60.9 (11)
N1—C1—C2—C3	−69.50 (16)	C7'—C8'—C9'—C10'	170.4 (9)
C4—N2—C3—C2	179.52 (11)	C8'—C9'—C10'—C11'	−175.3 (10)
Cu1—N2—C3—C2	−57.16 (13)	C9'—C10'—C11'—C12'	174.2 (15)
C1—C2—C3—N2	70.11 (16)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O1ii	0.86 (1)	2.30 (1)	2.983 (2)	137 (2)
N2—H2···O2	0.86 (1)	2.12 (1)	2.924 (2)	156 (2)
O1w—H11···O2	0.83 (1)	1.93 (1)	2.730 (2)	162 (2)
O1w—H12···O2w	0.83 (1)	1.95 (1)	2.777 (2)	174 (2)
O2w—H21···O1iii	0.83 (1)	2.02 (1)	2.833 (2)	166 (2)
O2w—H22···O1ii	0.84 (1)	1.91 (1)	2.743 (2)	171 (2)

Table 1

Selected bond lengths (Å)

Cu1—N1	2.026 (1)
Cu1—N2	2.025 (1)
Cu1—O1w	2.499 (1)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯O1i	0.86 (1)	2.30 (1)	2.983 (2)	137 (2)
N2—H2⋯O2	0.86 (1)	2.12 (1)	2.924 (2)	156 (2)
O1w—H11⋯O2	0.83 (1)	1.93 (1)	2.730 (2)	162 (2)
O1w—H12⋯O2w	0.83 (1)	1.95 (1)	2.777 (2)	174 (2)
O2w—H21⋯O1ii	0.83 (1)	2.02 (1)	2.833 (2)	166 (2)
O2w—H22⋯O1i	0.84 (1)	1.91 (1)	2.743 (2)	171 (2)

Symmetry codes: (i) ; (ii) .