Di-μ-chloro-bis­{[N,N-bis­(2-pyridylmeth­yl)glycine-κ⁴N,N′,N′′,O]copper(II)] diperchlorate acetonitrile tetra­solvate

The title compound, [Cu₂Cl₂(C₁₄H₁₅N₃O₂)₂](ClO₄)₂·4C₂H₃N, contains dichloro-bridged dicopper(II) complexes lying on centres of inversion. The crystal examined was twinned by a 180° rotation about c*.

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean [sigma](C-C) = 0.010 Å
• R factor = 0.073
• wR factor = 0.191
• Data-to-parameter ratio = 28.9

checkCIF/PLATON results

No syntax errors found



Alert level A
REFLT03_ALERT_3_A  Reflection count > 15% excess reflns - sys abs data present?
           From the CIF: _diffrn_reflns_theta_max           26.64
           From the CIF: _diffrn_reflns_theta_full          26.64
           From the CIF: _reflns_number_total               8342
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         4726
           Completeness (_total/calc)            176.51%

Author Response: This is a 2-component twin refinement (HKLF5). See the text for details.

Alert level B
PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ...       1.76

Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
            identifier.
            turquoise
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C1S
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C3S
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6

   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: APEX2 (Bruker–Nonius, 2004); cell refinement: SAINT-Plus (Bruker, 2003); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Di-µ-chloro-bis{[N,N-bis(2-pyridylmethyl)glycine-κ⁴N,N',N'',O]copper(II)] diperchlorate acetonitrile tetrasolvate

Crystal data

[Cu2Cl2(C14H15N3O2)2](ClO4)2·4C2H3N	Z = 1
Mr = 1075.68	F(000) = 550
Triclinic, P1	Dx = 1.584 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.1238 (6) Å	Cell parameters from 2878 reflections
b = 10.6609 (10) Å	θ = 2.3–21.0°
c = 14.9894 (13) Å	µ = 1.25 mm^−1
α = 92.919 (4)°	T = 180 K
β = 91.266 (4)°	Plate, turquoise
γ = 97.159 (4)°	0.24 × 0.20 × 0.05 mm
V = 1127.58 (17) Å^3

Data collection

Bruker–Nonius X8APEX-II CCD diffractometer	8342 independent reflections
Radiation source: fine-focus sealed tube	4142 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.076
thin–slice ω and φ scans	θmax = 26.6°, θmin = 3.5°
Absorption correction: multi-scan (TWINABS; Sheldrick, 2004)	h = −8→8
Tmin = 0.768, Tmax = 0.940	k = −13→13
26597 measured reflections	l = 0→18

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.073	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.191	H-atom parameters constrained
S = 1.01	w = 1/[σ^2(Fo^2) + (0.0828P)^2] where P = (Fo^2 + 2Fc^2)/3
8342 reflections	(Δ/σ)max < 0.001
289 parameters	Δρmax = 1.11 e Å^−3
0 restraints	Δρmin = −0.65 e Å^−3

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.42767 (10)	0.37182 (7)	0.41444 (5)	0.0218 (3)
Cl1	0.2439 (2)	0.41709 (15)	0.52801 (11)	0.0292 (5)
O1	0.2305 (5)	0.2095 (4)	0.3392 (3)	0.0290 (11)
O2	0.2394 (7)	0.0856 (5)	0.2135 (3)	0.0542 (15)
H2	0.1276	0.0586	0.2258	0.081*
N1	0.3488 (7)	0.4963 (4)	0.3332 (3)	0.0204 (12)
N2	0.6012 (7)	0.3314 (5)	0.3101 (4)	0.0289 (14)
N3	0.5673 (6)	0.2499 (4)	0.4749 (4)	0.0213 (12)
C1	0.1958 (8)	0.5590 (6)	0.3398 (4)	0.0253 (16)
H1A	0.1169	0.5453	0.3895	0.030*
C2	0.1491 (9)	0.6412 (6)	0.2783 (5)	0.0297 (17)
H2A	0.0410	0.6841	0.2861	0.036*
C3	0.2597 (10)	0.6612 (6)	0.2052 (5)	0.041 (2)
H3A	0.2319	0.7198	0.1625	0.050*
C4	0.4147 (10)	0.5932 (6)	0.1950 (5)	0.0352 (18)
H4A	0.4892	0.6008	0.1433	0.042*
C5	0.4578 (8)	0.5151 (6)	0.2609 (4)	0.0247 (16)
C6	0.6344 (8)	0.4497 (5)	0.2592 (4)	0.0251 (16)
H6A	0.6650	0.4278	0.1967	0.030*
H6B	0.7426	0.5069	0.2868	0.030*
C7	0.7790 (8)	0.3016 (6)	0.3560 (4)	0.0257 (16)
H7A	0.8602	0.3812	0.3747	0.031*
H7B	0.8504	0.2519	0.3142	0.031*
C8	0.7288 (8)	0.2269 (5)	0.4366 (4)	0.0250 (16)
C9	0.8453 (9)	0.1511 (6)	0.4729 (5)	0.0371 (19)
H9A	0.9591	0.1369	0.4444	0.044*
C10	0.7980 (10)	0.0943 (7)	0.5514 (5)	0.045 (2)
H10A	0.8813	0.0434	0.5784	0.054*
C11	0.6273 (9)	0.1121 (6)	0.5910 (5)	0.0322 (17)
H11A	0.5878	0.0711	0.6434	0.039*
C12	0.5204 (9)	0.1912 (6)	0.5506 (4)	0.0271 (17)
H12A	0.4051	0.2063	0.5774	0.033*
C13	0.5127 (8)	0.2235 (6)	0.2515 (5)	0.0312 (18)
H13A	0.5907	0.1531	0.2551	0.037*
H13B	0.5139	0.2494	0.1890	0.037*
C14	0.3092 (9)	0.1747 (6)	0.2742 (5)	0.0281 (17)
Cl2	0.2168 (2)	0.10340 (16)	0.78249 (12)	0.0333 (5)
O2A	0.4008 (6)	0.0842 (5)	0.8139 (4)	0.0628 (17)
O2B	0.1079 (8)	0.1460 (5)	0.8525 (4)	0.0686 (18)
O2C	0.2316 (8)	0.1957 (7)	0.7176 (4)	0.101 (3)
O2D	0.1254 (7)	−0.0110 (6)	0.7441 (5)	0.101 (3)
N1S	0.6069 (12)	0.2854 (7)	0.0246 (5)	0.080 (3)
C1S	0.6682 (11)	0.1934 (10)	0.0083 (5)	0.053 (2)
C2S	0.7474 (13)	0.0751 (8)	−0.0114 (6)	0.073 (3)
H2S1	0.8845	0.0878	0.0006	0.110*
H2S2	0.7217	0.0477	−0.0744	0.110*
H2S3	0.6881	0.0100	0.0266	0.110*
C4S	0.1761 (12)	0.3861 (8)	0.0051 (7)	0.076 (3)
H4S1	0.0797	0.4144	−0.0342	0.114*
H4S2	0.2226	0.3112	−0.0230	0.114*
H4S3	0.2816	0.4541	0.0150	0.114*
C3S	0.0933 (12)	0.3558 (8)	0.0901 (7)	0.053 (2)
N2S	0.0250 (13)	0.3353 (8)	0.1540 (6)	0.088 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0184 (4)	0.0197 (5)	0.0282 (5)	0.0045 (3)	0.0059 (4)	0.0023 (4)
Cl1	0.0257 (9)	0.0310 (11)	0.0326 (11)	0.0094 (8)	0.0101 (8)	0.0009 (9)
O1	0.019 (2)	0.031 (3)	0.036 (3)	−0.001 (2)	0.007 (2)	−0.006 (2)
O2	0.038 (3)	0.057 (4)	0.059 (4)	−0.011 (3)	0.001 (3)	−0.034 (3)
N1	0.021 (3)	0.015 (3)	0.025 (3)	0.000 (2)	0.004 (3)	−0.003 (2)
N2	0.026 (3)	0.035 (4)	0.027 (4)	0.010 (3)	0.004 (3)	−0.007 (3)
N3	0.020 (3)	0.018 (3)	0.029 (3)	0.008 (2)	0.013 (3)	0.003 (3)
C1	0.022 (4)	0.020 (4)	0.034 (4)	0.004 (3)	0.003 (3)	−0.004 (3)
C2	0.026 (4)	0.016 (4)	0.048 (5)	0.006 (3)	−0.003 (4)	0.006 (4)
C3	0.046 (5)	0.032 (5)	0.048 (5)	0.008 (4)	−0.001 (4)	0.017 (4)
C4	0.043 (5)	0.033 (5)	0.029 (5)	0.000 (4)	0.001 (4)	0.009 (4)
C5	0.025 (4)	0.019 (4)	0.028 (4)	−0.001 (3)	−0.008 (3)	0.000 (3)
C6	0.027 (4)	0.018 (4)	0.031 (4)	0.004 (3)	0.006 (3)	0.004 (3)
C7	0.017 (3)	0.030 (4)	0.032 (4)	0.007 (3)	0.009 (3)	0.007 (3)
C8	0.021 (4)	0.011 (4)	0.043 (5)	−0.001 (3)	0.007 (3)	−0.001 (3)
C9	0.030 (4)	0.036 (5)	0.049 (5)	0.008 (3)	0.017 (4)	0.019 (4)
C10	0.037 (5)	0.035 (5)	0.067 (6)	0.019 (4)	−0.003 (4)	0.005 (4)
C11	0.043 (4)	0.024 (4)	0.033 (5)	0.010 (3)	0.008 (4)	0.007 (4)
C12	0.024 (4)	0.025 (4)	0.033 (5)	0.004 (3)	0.003 (3)	−0.002 (3)
C13	0.024 (4)	0.028 (4)	0.039 (5)	−0.003 (3)	0.009 (3)	−0.017 (4)
C14	0.027 (4)	0.015 (4)	0.042 (5)	0.004 (3)	−0.011 (4)	0.001 (4)
Cl2	0.0282 (10)	0.0325 (11)	0.0394 (12)	0.0036 (8)	0.0058 (9)	0.0007 (10)
O2A	0.028 (3)	0.059 (4)	0.101 (5)	0.005 (3)	−0.021 (3)	0.013 (3)
O2B	0.076 (4)	0.075 (4)	0.058 (4)	0.022 (3)	0.033 (3)	−0.010 (3)
O2C	0.071 (4)	0.161 (7)	0.095 (5)	0.066 (4)	0.043 (4)	0.086 (5)
O2D	0.034 (3)	0.066 (5)	0.192 (8)	−0.008 (3)	0.001 (4)	−0.074 (5)
N1S	0.109 (7)	0.066 (6)	0.067 (6)	0.023 (5)	0.036 (5)	−0.006 (5)
C1S	0.043 (5)	0.083 (8)	0.024 (5)	−0.022 (5)	0.003 (4)	0.008 (5)
C2S	0.082 (7)	0.065 (7)	0.069 (7)	−0.001 (5)	0.022 (6)	−0.009 (5)
C4S	0.068 (6)	0.075 (7)	0.084 (8)	0.008 (5)	0.000 (6)	−0.016 (6)
C3S	0.045 (6)	0.051 (6)	0.060 (7)	0.010 (5)	−0.013 (5)	−0.016 (6)
N2S	0.112 (8)	0.079 (7)	0.073 (7)	0.005 (6)	0.006 (6)	0.007 (6)

Geometric parameters (Å, º)

Cu1—N1	1.970 (5)	C7—H7A	0.990
Cu1—N2	2.076 (5)	C7—H7B	0.990
Cu1—N3	1.976 (5)	C8—C9	1.353 (8)
Cu1—O1	2.316 (4)	C9—C10	1.380 (9)
Cu1—Cl1	2.2397 (17)	C9—H9A	0.950
Cu1—Cl1^i	3.1116 (18)	C10—C11	1.394 (8)
O1—C14	1.200 (7)	C10—H10A	0.950
O2—C14	1.323 (8)	C11—C12	1.360 (8)
O2—H2	0.840	C11—H11A	0.950
N1—C1	1.350 (7)	C12—H12A	0.950
N1—C5	1.355 (7)	C13—C14	1.530 (8)
N2—C13	1.478 (7)	C13—H13A	0.990
N2—C6	1.503 (7)	C13—H13B	0.990
N2—C7	1.504 (7)	Cl2—O2D	1.398 (5)
N3—C8	1.341 (7)	Cl2—O2B	1.408 (5)
N3—C12	1.351 (7)	Cl2—O2C	1.415 (6)
C1—C2	1.368 (8)	Cl2—O2A	1.425 (5)
C1—H1A	0.950	N1S—C1S	1.140 (10)
C2—C3	1.375 (9)	C1S—C2S	1.465 (12)
C2—H2A	0.950	C2S—H2S1	0.980
C3—C4	1.401 (9)	C2S—H2S2	0.980
C3—H3A	0.950	C2S—H2S3	0.980
C4—C5	1.377 (8)	C4S—C3S	1.451 (12)
C4—H4A	0.950	C4S—H4S1	0.980
C5—C6	1.513 (8)	C4S—H4S2	0.980
C6—H6A	0.990	C4S—H4S3	0.980
C6—H6B	0.990	C3S—N2S	1.103 (10)
C7—C8	1.506 (8)
N1—Cu1—N2	83.0 (2)	N2—C7—C8	109.7 (5)
N1—Cu1—N3	164.4 (2)	N2—C7—H7A	109.7
N2—Cu1—N3	82.3 (2)	C8—C7—H7A	109.7
N1—Cu1—Cl1	97.10 (15)	N2—C7—H7B	109.7
N2—Cu1—Cl1	179.18 (17)	C8—C7—H7B	109.7
N3—Cu1—Cl1	97.50 (15)	H7A—C7—H7B	108.2
N1—Cu1—O1	91.33 (17)	N3—C8—C9	122.0 (6)
N2—Cu1—O1	80.62 (18)	N3—C8—C7	114.9 (5)
N3—Cu1—O1	91.58 (18)	C9—C8—C7	122.8 (6)
Cl1—Cu1—O1	100.18 (12)	C8—C9—C10	119.7 (6)
N1—Cu1—Cl1^i	84.87 (14)	C8—C9—H9A	120.1
N2—Cu1—Cl1^i	84.60 (15)	C10—C9—H9A	120.1
N3—Cu1—Cl1^i	88.40 (14)	C9—C10—C11	119.6 (6)
Cl1—Cu1—Cl1^i	94.61 (5)	C9—C10—H10A	120.2
O1—Cu1—Cl1^i	165.08 (11)	C11—C10—H10A	120.2
C14—O1—Cu1	108.6 (4)	C12—C11—C10	116.5 (6)
C14—O2—H2	109.5	C12—C11—H11A	121.7
C1—N1—C5	117.6 (5)	C10—C11—H11A	121.7
C1—N1—Cu1	127.3 (4)	N3—C12—C11	124.4 (6)
C5—N1—Cu1	115.0 (4)	N3—C12—H12A	117.8
C13—N2—C6	110.8 (5)	C11—C12—H12A	117.8
C13—N2—C7	111.6 (5)	N2—C13—C14	114.5 (5)
C6—N2—C7	112.2 (5)	N2—C13—H13A	108.6
C13—N2—Cu1	111.5 (4)	C14—C13—H13A	108.6
C6—N2—Cu1	106.2 (3)	N2—C13—H13B	108.6
C7—N2—Cu1	104.1 (4)	C14—C13—H13B	108.6
C8—N3—C12	117.6 (5)	H13A—C13—H13B	107.6
C8—N3—Cu1	115.0 (4)	O1—C14—O2	126.3 (6)
C12—N3—Cu1	127.3 (4)	O1—C14—C13	124.4 (6)
N1—C1—C2	123.1 (6)	O2—C14—C13	109.3 (6)
N1—C1—H1A	118.4	O2D—Cl2—O2B	109.2 (4)
C2—C1—H1A	118.4	O2D—Cl2—O2C	109.4 (5)
C1—C2—C3	119.5 (6)	O2B—Cl2—O2C	108.0 (4)
C1—C2—H2A	120.3	O2D—Cl2—O2A	108.9 (3)
C3—C2—H2A	120.3	O2B—Cl2—O2A	111.4 (4)
C2—C3—C4	118.3 (7)	O2C—Cl2—O2A	109.9 (3)
C2—C3—H3A	120.8	N1S—C1S—C2S	179.3 (10)
C4—C3—H3A	120.8	C1S—C2S—H2S1	109.8
C5—C4—C3	119.2 (6)	C1S—C2S—H2S2	109.6
C5—C4—H4A	120.4	H2S1—C2S—H2S2	109.5
C3—C4—H4A	120.4	C1S—C2S—H2S3	109.0
N1—C5—C4	122.1 (6)	H2S1—C2S—H2S3	109.5
N1—C5—C6	115.8 (5)	H2S2—C2S—H2S3	109.5
C4—C5—C6	122.0 (6)	C3S—C4S—H4S1	109.1
N2—C6—C5	109.1 (5)	C3S—C4S—H4S2	110.1
N2—C6—H6A	109.9	H4S1—C4S—H4S2	109.5
C5—C6—H6A	109.9	C3S—C4S—H4S3	109.2
N2—C6—H6B	109.9	H4S1—C4S—H4S3	109.4
C5—C6—H6B	109.9	H4S2—C4S—H4S3	109.5
H6A—C6—H6B	108.3	N2S—C3S—C4S	177.3 (11)
N1—Cu1—O1—C14	81.7 (4)	Cu1—N1—C1—C2	−177.9 (5)
N3—Cu1—O1—C14	−82.9 (4)	N1—C1—C2—C3	0.9 (10)
N2—Cu1—O1—C14	−1.0 (4)	C1—C2—C3—C4	1.8 (10)
Cl1—Cu1—O1—C14	179.2 (4)	C2—C3—C4—C5	−4.0 (10)
Cl1^i—Cu1—O1—C14	6.8 (7)	C1—N1—C5—C4	−1.1 (8)
N3—Cu1—N1—C1	−174.2 (7)	Cu1—N1—C5—C4	175.9 (5)
N2—Cu1—N1—C1	165.5 (5)	C1—N1—C5—C6	176.3 (5)
Cl1—Cu1—N1—C1	−15.3 (5)	Cu1—N1—C5—C6	−6.7 (6)
O1—Cu1—N1—C1	85.1 (5)	C3—C4—C5—N1	3.8 (10)
Cl1^i—Cu1—N1—C1	−109.4 (5)	C3—C4—C5—C6	−173.4 (6)
N3—Cu1—N1—C5	9.1 (10)	C13—N2—C6—C5	86.8 (6)
N2—Cu1—N1—C5	−11.2 (4)	C7—N2—C6—C5	−147.6 (5)
Cl1—Cu1—N1—C5	168.0 (4)	Cu1—N2—C6—C5	−34.5 (6)
O1—Cu1—N1—C5	−91.6 (4)	N1—C5—C6—N2	28.6 (7)
Cl1^i—Cu1—N1—C5	73.9 (4)	C4—C5—C6—N2	−154.0 (6)
N1—Cu1—N2—C13	−95.3 (4)	C13—N2—C7—C8	−81.5 (6)
N3—Cu1—N2—C13	90.1 (4)	C6—N2—C7—C8	153.3 (5)
O1—Cu1—N2—C13	−2.8 (4)	Cu1—N2—C7—C8	38.9 (6)
Cl1^i—Cu1—N2—C13	179.2 (4)	C12—N3—C8—C9	−2.0 (9)
N1—Cu1—N2—C6	25.6 (4)	Cu1—N3—C8—C9	176.3 (5)
N3—Cu1—N2—C6	−149.0 (4)	C12—N3—C8—C7	−176.2 (5)
O1—Cu1—N2—C6	118.1 (4)	Cu1—N3—C8—C7	2.1 (7)
Cl1^i—Cu1—N2—C6	−59.9 (4)	N2—C7—C8—N3	−28.9 (7)
N1—Cu1—N2—C7	144.2 (4)	N2—C7—C8—C9	156.8 (6)
N3—Cu1—N2—C7	−30.4 (4)	N3—C8—C9—C10	0.4 (10)
O1—Cu1—N2—C7	−123.3 (4)	C7—C8—C9—C10	174.2 (6)
Cl1^i—Cu1—N2—C7	58.7 (3)	C8—C9—C10—C11	2.3 (11)
N1—Cu1—N3—C8	−3.4 (10)	C9—C10—C11—C12	−3.1 (10)
N2—Cu1—N3—C8	17.0 (4)	C8—N3—C12—C11	1.0 (9)
Cl1—Cu1—N3—C8	−162.2 (4)	Cu1—N3—C12—C11	−177.1 (5)
O1—Cu1—N3—C8	97.3 (4)	C10—C11—C12—N3	1.5 (10)
Cl1^i—Cu1—N3—C8	−67.8 (4)	C6—N2—C13—C14	−112.4 (6)
N1—Cu1—N3—C12	174.7 (6)	C7—N2—C13—C14	121.7 (5)
N2—Cu1—N3—C12	−164.9 (5)	Cu1—N2—C13—C14	5.8 (7)
Cl1—Cu1—N3—C12	15.9 (5)	Cu1—O1—C14—O2	−178.2 (5)
O1—Cu1—N3—C12	−84.6 (5)	Cu1—O1—C14—C13	4.9 (7)
Cl1^i—Cu1—N3—C12	110.3 (5)	N2—C13—C14—O1	−7.7 (9)
C5—N1—C1—C2	−1.3 (9)	N2—C13—C14—O2	175.0 (6)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2···O2D^ii	0.84	1.88	2.720 (7)	176

Symmetry code: (ii) −x, −y, −z+1.