Aqua-(2,2'-bipyridine-κN,N')[2-(3-thien-yl)malonato-κO,O']zinc(II) dihydrate.

In the crystal structure of the title compound, [Zn(C(7)H(4)O(4)S)(C(10)H(8)N(2))(H(2)O)]·2H(2)O, the Zn(II) ion assumes a trigonal-bipyramidal coordination geometry completed by two N atoms from a 2,2'-bipyridine ligand, two O atoms from a 2-(3-thien-yl)malonate anion and a water mol-ecule. The S atom of the 2-(3-thien-yl)malonate ligand is disordered over two sites with an occupancy ratio of 0.701 (5):0.299 (5). Inter-molecular O-H⋯O hydrogen bonding is present in the crystal structure.

Related literature

For general background to organic heterocycles, see: Lin et al. (2008 ▶); Jin et al. (2001 ▶). For related thio­phene­malonate complexes, see: He et al. (2009 ▶); Murray et al. (2008 ▶); Huang et al. (2009 ▶); Lim et al. (2006 ▶). For hydrogen-bonded rings in polymeric complexes, see: Eppel & Bernstein (2009 ▶); Etter (1990 ▶); Nichol & Clegg (2009 ▶).

Experimental

Crystal data

[Zn(C7H4O4S)(C10H8N2)(H2O)]·2H2O

M = 459.76

Orthorhombic,

a = 15.9978 (10) Å

b = 14.5647 (9) Å

c = 16.5889 (10) Å

V = 3865.3 (4) Å3

Z = 8

Mo Kα radiation

μ = 1.42 mm−1

T = 293 K

0.15 × 0.10 × 0.06 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.843, T max = 0.918

23919 measured reflections

4752 independent reflections

3107 reflections with I > 2σ(I)

R int = 0.045

Refinement

R[F 2 > 2σ(F 2)] = 0.035

wR(F 2) = 0.094

S = 1.01

4752 reflections

273 parameters

1 restraint

H-atom parameters constrained

Δρmax = 0.29 e Å−3

Δρmin = −0.39 e Å−3

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809047448/xu2654sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809047448/xu2654Isup2.hkl

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

[Zn(C7H4O4S)(C10H8N2)(H2O)]·2H2O	F(000) = 1888
Mr = 459.76	Dx = 1.580 Mg m−3
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 4757 reflections
a = 15.9978 (10) Å	θ = 2.3–28.3°
b = 14.5647 (9) Å	µ = 1.42 mm−1
c = 16.5889 (10) Å	T = 293 K
V = 3865.3 (4) Å3	Prism, colorless
Z = 8	0.15 × 0.10 × 0.06 mm

Bruker SMART CCD diffractometer	4752 independent reflections
Radiation source: fine-focus sealed tube	3107 reflections with I > 2σ(I)
graphite	Rint = 0.045
φ and ω scans	θmax = 28.3°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −20→21
Tmin = 0.843, Tmax = 0.918	k = −19→19
23919 measured reflections	l = −13→21

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.035	H-atom parameters constrained
wR(F2) = 0.094	w = 1/[σ2(Fo2) + (0.0445P)2 + 0.5447P] where P = (Fo2 + 2Fc2)/3
S = 1.00	(Δ/σ)max = 0.013
4752 reflections	Δρmax = 0.29 e Å−3
273 parameters	Δρmin = −0.39 e Å−3
1 restraint	Extinction correction: SHELXTL (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0056 (3)

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	Occ. (<1)
Zn1	0.006504 (15)	0.702960 (16)	0.153476 (15)	0.03795 (11)
S1A	0.1680 (2)	0.8323 (2)	−0.04031 (12)	0.0838 (10)	0.701 (5)
C6A	0.1110 (9)	0.9380 (17)	−0.0371 (9)	0.086 (5)	0.701 (5)
H6AA	0.0975	0.9781	−0.0788	0.103*	0.701 (5)
S1B	0.1113 (9)	0.9171 (14)	−0.0430 (7)	0.104 (4)	0.299 (5)
C6B	0.1633 (18)	0.8181 (18)	−0.0295 (10)	0.100 (11)	0.299 (5)
H6BA	0.1852	0.7779	−0.0676	0.120*	0.299 (5)
O1	0.11079 (10)	0.71831 (9)	0.21860 (10)	0.0469 (4)
O2	0.21138 (11)	0.80238 (11)	0.27006 (12)	0.0647 (5)
O3	−0.03265 (9)	0.82628 (10)	0.19487 (10)	0.0453 (4)
O4	−0.00902 (9)	0.96587 (11)	0.23639 (12)	0.0595 (5)
O5	−0.06263 (9)	0.61837 (11)	0.21667 (11)	0.0582 (5)
H18	−0.1147	0.6295	0.2189	0.087*
H19	−0.0547	0.5646	0.2351	0.087*
N1	0.06793 (11)	0.61120 (12)	0.07465 (11)	0.0416 (4)
N2	−0.05051 (12)	0.73028 (13)	0.04201 (13)	0.0491 (5)
C1	0.01571 (12)	0.89209 (14)	0.20888 (13)	0.0376 (5)
C2	0.14652 (14)	0.79424 (14)	0.23075 (14)	0.0406 (5)
C3	0.10954 (12)	0.88032 (14)	0.19092 (13)	0.0375 (5)
H3	0.1390	0.9340	0.2123	0.045*
C4	0.12234 (12)	0.87804 (15)	0.10066 (14)	0.0426 (5)
C5	0.09144 (18)	0.9444 (2)	0.04875 (19)	0.0722 (8)
H5	0.0695	1.0000	0.0670	0.087*
C7	0.16463 (17)	0.81237 (18)	0.05892 (17)	0.0561 (7)
H7	0.1929	0.7608	0.0830	0.067*
C8	0.12881 (14)	0.55364 (16)	0.09565 (16)	0.0515 (6)
H8	0.1428	0.5489	0.1499	0.062*
C9	0.17174 (16)	0.50113 (19)	0.04116 (19)	0.0639 (7)
H9	0.2145	0.4623	0.0578	0.077*
C10	0.14997 (19)	0.5074 (2)	−0.0387 (2)	0.0747 (9)
H10	0.1778	0.4723	−0.0771	0.090*
C11	0.08674 (18)	0.5659 (2)	−0.06165 (17)	0.0659 (7)
H11	0.0713	0.5706	−0.1156	0.079*
C12	0.04632 (14)	0.61766 (16)	−0.00342 (14)	0.0455 (6)
C13	−0.02145 (15)	0.68297 (17)	−0.02135 (15)	0.0478 (6)
C14	−0.05387 (19)	0.6973 (2)	−0.09774 (17)	0.0738 (9)
H14	−0.0336	0.6638	−0.1413	0.089*
C15	−0.1155 (2)	0.7605 (3)	−0.1090 (2)	0.0865 (10)
H15	−0.1378	0.7699	−0.1601	0.104*
C16	−0.1442 (2)	0.8096 (2)	−0.0452 (2)	0.0820 (10)
H16	−0.1855	0.8539	−0.0520	0.098*
C17	−0.11076 (18)	0.79227 (18)	0.0303 (2)	0.0716 (9)
H17	−0.1310	0.8249	0.0744	0.086*
O6	0.30803 (11)	0.96079 (13)	0.28178 (15)	0.0902 (7)
H20	0.2790	0.9120	0.2835	0.135*
H21	0.3574	0.9424	0.2919	0.135*
O7	0.27699 (11)	0.62083 (13)	0.27671 (16)	0.0973 (8)
H22	0.2451	0.6675	0.2774	0.146*
H23	0.2433	0.5767	0.2851	0.146*

	U11	U22	U33	U12	U13	U23
Zn1	0.03884 (16)	0.03100 (15)	0.04402 (17)	−0.00086 (10)	−0.00143 (11)	−0.00347 (11)
S1A	0.0931 (16)	0.102 (2)	0.0563 (9)	−0.0365 (14)	0.0254 (9)	−0.0082 (10)
C6A	0.053 (5)	0.109 (11)	0.096 (9)	0.016 (5)	0.005 (5)	0.048 (7)
S1B	0.113 (6)	0.124 (8)	0.076 (4)	−0.004 (4)	0.021 (3)	0.031 (3)
C6B	0.078 (12)	0.041 (8)	0.18 (3)	−0.002 (8)	0.059 (12)	0.034 (10)
O1	0.0499 (9)	0.0316 (8)	0.0592 (10)	0.0009 (7)	−0.0149 (8)	0.0001 (7)
O2	0.0510 (10)	0.0531 (11)	0.0899 (14)	−0.0023 (8)	−0.0338 (10)	0.0044 (9)
O3	0.0337 (8)	0.0366 (9)	0.0655 (11)	−0.0017 (7)	0.0039 (8)	−0.0123 (8)
O4	0.0452 (9)	0.0363 (9)	0.0968 (14)	0.0014 (7)	0.0116 (9)	−0.0224 (9)
O5	0.0435 (9)	0.0411 (9)	0.0899 (13)	0.0012 (7)	0.0131 (9)	0.0187 (9)
N1	0.0401 (10)	0.0402 (10)	0.0446 (11)	−0.0004 (8)	0.0010 (8)	−0.0022 (9)
N2	0.0494 (12)	0.0404 (11)	0.0574 (13)	0.0018 (9)	−0.0142 (10)	0.0001 (10)
C1	0.0366 (11)	0.0317 (11)	0.0444 (13)	0.0000 (9)	0.0015 (9)	−0.0017 (10)
C2	0.0382 (12)	0.0396 (12)	0.0442 (13)	0.0046 (10)	−0.0028 (10)	−0.0005 (10)
C3	0.0322 (11)	0.0307 (11)	0.0497 (13)	−0.0019 (9)	−0.0042 (10)	−0.0026 (10)
C4	0.0318 (11)	0.0440 (13)	0.0518 (14)	−0.0058 (9)	0.0033 (10)	0.0081 (11)
C5	0.0660 (17)	0.077 (2)	0.073 (2)	0.0156 (15)	0.0104 (15)	0.0262 (16)
C7	0.0586 (16)	0.0536 (16)	0.0560 (17)	−0.0071 (12)	0.0175 (13)	−0.0004 (13)
C8	0.0479 (13)	0.0487 (14)	0.0579 (16)	0.0061 (11)	−0.0070 (12)	−0.0047 (12)
C9	0.0522 (15)	0.0572 (17)	0.082 (2)	0.0089 (12)	0.0002 (15)	−0.0139 (15)
C10	0.0691 (19)	0.080 (2)	0.075 (2)	0.0102 (16)	0.0159 (17)	−0.0264 (17)
C11	0.0748 (18)	0.078 (2)	0.0450 (15)	−0.0004 (16)	0.0044 (13)	−0.0155 (14)
C12	0.0455 (13)	0.0467 (14)	0.0441 (14)	−0.0095 (11)	0.0024 (11)	−0.0032 (11)
C13	0.0495 (13)	0.0500 (15)	0.0439 (14)	−0.0112 (11)	−0.0053 (11)	0.0067 (11)
C14	0.0690 (19)	0.104 (2)	0.0487 (17)	−0.0068 (17)	−0.0068 (15)	0.0143 (16)
C15	0.081 (2)	0.101 (3)	0.077 (2)	−0.011 (2)	−0.0295 (19)	0.034 (2)
C16	0.070 (2)	0.063 (2)	0.113 (3)	0.0004 (15)	−0.042 (2)	0.0220 (19)
C17	0.0668 (18)	0.0556 (17)	0.092 (2)	0.0114 (14)	−0.0271 (17)	−0.0064 (15)
O6	0.0429 (11)	0.0615 (12)	0.166 (2)	0.0055 (9)	−0.0057 (12)	−0.0011 (13)
O7	0.0408 (10)	0.0598 (13)	0.191 (2)	0.0105 (9)	−0.0077 (13)	0.0120 (14)

Zn1—O1	2.0001 (15)	C3—H3	0.9800
Zn1—O3	2.0224 (15)	C4—C7	1.361 (3)
Zn1—O5	1.9596 (15)	C4—C5	1.386 (3)
Zn1—N1	2.1123 (18)	C5—H5	0.9317
Zn1—N2	2.100 (2)	C7—H7	0.9630
S1A—C7	1.672 (3)	C8—C9	1.369 (3)
S1A—C6A	1.79 (2)	C8—H8	0.9300
C6A—C5	1.461 (16)	C9—C10	1.373 (4)
C6A—H6AA	0.9300	C9—H9	0.9300
S1B—C6B	1.68 (3)	C10—C11	1.376 (4)
S1B—C5	1.606 (14)	C10—H10	0.9300
C6B—C7	1.469 (17)	C11—C12	1.385 (3)
C6B—H6BA	0.9300	C11—H11	0.9300
O1—C2	1.261 (2)	C12—C13	1.473 (3)
O2—C2	1.231 (3)	C13—C14	1.385 (3)
O3—C1	1.254 (2)	C14—C15	1.361 (4)
O4—C1	1.233 (2)	C14—H14	0.9300
O5—H18	0.8499	C15—C16	1.358 (5)
O5—H19	0.8500	C15—H15	0.9300
N1—C8	1.331 (3)	C16—C17	1.385 (4)
N1—C12	1.344 (3)	C16—H16	0.9300
N2—C17	1.335 (3)	C17—H17	0.9300
N2—C13	1.340 (3)	O6—H20	0.8499
C1—C3	1.540 (3)	O6—H21	0.8501
C2—C3	1.536 (3)	O7—H22	0.8500
C3—C4	1.512 (3)	O7—H23	0.8501
O5—Zn1—O1	104.60 (7)	C4—C5—C6A	119.0 (9)
O5—Zn1—O3	101.65 (6)	C4—C5—S1B	110.2 (6)
O1—Zn1—O3	88.61 (6)	C6A—C5—S1B	10.7 (17)
O5—Zn1—N2	110.18 (7)	C4—C5—H5	122.6
O1—Zn1—N2	144.76 (7)	C6A—C5—H5	116.9
O3—Zn1—N2	89.78 (7)	S1B—C5—H5	126.7
O5—Zn1—N1	101.30 (7)	C4—C7—S1A	113.3 (2)
O1—Zn1—N1	90.98 (7)	C4—C7—C6B	117.4 (11)
O3—Zn1—N1	156.38 (7)	S1A—C7—C6B	7.3 (11)
N2—Zn1—N1	77.11 (7)	C4—C7—H7	124.8
C7—S1A—C6A	95.9 (5)	S1A—C7—H7	121.8
C5—C6A—S1A	101.1 (10)	C6B—C7—H7	117.7
C5—C6A—H6AA	129.4	N1—C8—C9	123.1 (2)
S1A—C6A—H6AA	129.4	N1—C8—H8	118.5
C6B—S1B—C5	100.6 (10)	C9—C8—H8	118.5
S1B—C6B—C7	100.9 (15)	C8—C9—C10	118.2 (3)
S1B—C6B—H6BA	129.5	C8—C9—H9	120.9
C7—C6B—H6BA	129.5	C10—C9—H9	120.9
C2—O1—Zn1	124.22 (14)	C9—C10—C11	119.7 (3)
C1—O3—Zn1	123.42 (13)	C9—C10—H10	120.2
Zn1—O5—H18	117.2	C11—C10—H10	120.2
Zn1—O5—H19	133.4	C10—C11—C12	119.1 (3)
H18—O5—H19	107.9	C10—C11—H11	120.4
C8—N1—C12	119.0 (2)	C12—C11—H11	120.4
C8—N1—Zn1	125.22 (16)	N1—C12—C11	120.9 (2)
C12—N1—Zn1	115.63 (15)	N1—C12—C13	115.4 (2)
C17—N2—C13	119.0 (2)	C11—C12—C13	123.7 (2)
C17—N2—Zn1	124.7 (2)	N2—C13—C14	120.7 (2)
C13—N2—Zn1	116.26 (16)	N2—C13—C12	115.4 (2)
O4—C1—O3	122.49 (19)	C14—C13—C12	123.9 (3)
O4—C1—C3	118.79 (18)	C15—C14—C13	119.9 (3)
O3—C1—C3	118.73 (18)	C15—C14—H14	120.0
O2—C2—O1	123.4 (2)	C13—C14—H14	120.0
O2—C2—C3	118.29 (19)	C16—C15—C14	119.6 (3)
O1—C2—C3	118.20 (19)	C16—C15—H15	120.2
C4—C3—C2	110.86 (17)	C14—C15—H15	120.2
C4—C3—C1	109.04 (17)	C15—C16—C17	118.6 (3)
C2—C3—C1	112.53 (17)	C15—C16—H16	120.7
C4—C3—H3	108.1	C17—C16—H16	120.7
C2—C3—H3	108.1	N2—C17—C16	122.2 (3)
C1—C3—H3	108.1	N2—C17—H17	118.9
C7—C4—C5	110.6 (2)	C16—C17—H17	118.9
C7—C4—C3	125.9 (2)	H20—O6—H21	103.8
C5—C4—C3	123.5 (2)	H22—O7—H23	102.8
C7—S1A—C6A—C5	−2.2 (10)	C7—C4—C5—C6A	−3.1 (10)
C5—S1B—C6B—C7	−1.9 (17)	C3—C4—C5—C6A	177.0 (9)
O5—Zn1—O1—C2	−136.45 (18)	C7—C4—C5—S1B	3.7 (7)
O3—Zn1—O1—C2	−34.78 (18)	C3—C4—C5—S1B	−176.2 (7)
N2—Zn1—O1—C2	52.9 (2)	S1A—C6A—C5—C4	3.4 (13)
N1—Zn1—O1—C2	121.60 (18)	S1A—C6A—C5—S1B	−33 (5)
O5—Zn1—O3—C1	139.19 (18)	C6B—S1B—C5—C4	−0.9 (14)
O1—Zn1—O3—C1	34.56 (18)	C6B—S1B—C5—C6A	145 (6)
N2—Zn1—O3—C1	−110.24 (19)	C5—C4—C7—S1A	1.1 (3)
N1—Zn1—O3—C1	−54.7 (3)	C3—C4—C7—S1A	−179.0 (2)
O5—Zn1—N1—C8	−72.87 (18)	C5—C4—C7—C6B	−5.5 (12)
O1—Zn1—N1—C8	32.23 (18)	C3—C4—C7—C6B	174.4 (12)
O3—Zn1—N1—C8	121.0 (2)	C6A—S1A—C7—C4	0.8 (7)
N2—Zn1—N1—C8	178.76 (19)	C6A—S1A—C7—C6B	127 (10)
O5—Zn1—N1—C12	111.89 (16)	S1B—C6B—C7—C4	4.5 (18)
O1—Zn1—N1—C12	−143.01 (15)	S1B—C6B—C7—S1A	−52 (9)
O3—Zn1—N1—C12	−54.3 (2)	C12—N1—C8—C9	1.0 (3)
N2—Zn1—N1—C12	3.51 (15)	Zn1—N1—C8—C9	−174.14 (18)
O5—Zn1—N2—C17	82.5 (2)	N1—C8—C9—C10	−0.9 (4)
O1—Zn1—N2—C17	−107.2 (2)	C8—C9—C10—C11	0.4 (4)
O3—Zn1—N2—C17	−19.9 (2)	C9—C10—C11—C12	0.2 (4)
N1—Zn1—N2—C17	179.9 (2)	C8—N1—C12—C11	−0.4 (3)
O5—Zn1—N2—C13	−99.53 (17)	Zn1—N1—C12—C11	175.18 (18)
O1—Zn1—N2—C13	70.9 (2)	C8—N1—C12—C13	−179.9 (2)
O3—Zn1—N2—C13	158.13 (17)	Zn1—N1—C12—C13	−4.4 (2)
N1—Zn1—N2—C13	−2.06 (16)	C10—C11—C12—N1	−0.2 (4)
Zn1—O3—C1—O4	−177.78 (18)	C10—C11—C12—C13	179.4 (2)
Zn1—O3—C1—C3	2.3 (3)	C17—N2—C13—C14	−0.7 (4)
Zn1—O1—C2—O2	−178.94 (18)	Zn1—N2—C13—C14	−178.78 (19)
Zn1—O1—C2—C3	−2.1 (3)	C17—N2—C13—C12	178.6 (2)
O2—C2—C3—C4	107.2 (2)	Zn1—N2—C13—C12	0.5 (3)
O1—C2—C3—C4	−69.8 (2)	N1—C12—C13—N2	2.6 (3)
O2—C2—C3—C1	−130.3 (2)	C11—C12—C13—N2	−176.9 (2)
O1—C2—C3—C1	52.6 (3)	N1—C12—C13—C14	−178.2 (2)
O4—C1—C3—C4	−109.2 (2)	C11—C12—C13—C14	2.3 (4)
O3—C1—C3—C4	70.7 (2)	N2—C13—C14—C15	0.5 (4)
O4—C1—C3—C2	127.4 (2)	C12—C13—C14—C15	−178.7 (3)
O3—C1—C3—C2	−52.7 (3)	C13—C14—C15—C16	0.6 (5)
C2—C3—C4—C7	−3.5 (3)	C14—C15—C16—C17	−1.4 (5)
C1—C3—C4—C7	−127.9 (2)	C13—N2—C17—C16	−0.2 (4)
C2—C3—C4—C5	176.4 (2)	Zn1—N2—C17—C16	177.8 (2)
C1—C3—C4—C5	52.0 (3)	C15—C16—C17—N2	1.2 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H18···O7i	0.85	1.74	2.568 (2)	165
O5—H19···O4ii	0.85	1.83	2.618 (2)	155
O6—H20···O2	0.85	1.94	2.784 (2)	172
O6—H21···O4iii	0.85	2.22	2.943 (2)	144
O6—H21···O3iii	0.85	2.45	3.238 (2)	154
O7—H22···O2	0.85	2.04	2.847 (3)	158
O7—H22···O1	0.85	2.47	3.165 (2)	139
O7—H23···O6iv	0.85	1.88	2.700 (3)	162

Table 1

Selected bond lengths (Å)

Zn1—O1	2.0001 (15)
Zn1—O3	2.0224 (15)
Zn1—O5	1.9596 (15)
Zn1—N1	2.1123 (18)
Zn1—N2	2.100 (2)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H18⋯O7i	0.85	1.74	2.568 (2)	165
O5—H19⋯O4ii	0.85	1.83	2.618 (2)	155
O6—H20⋯O2	0.85	1.94	2.784 (2)	172
O6—H21⋯O4iii	0.85	2.22	2.943 (2)	144
O6—H21⋯O3iii	0.85	2.45	3.238 (2)	154
O7—H22⋯O2	0.85	2.04	2.847 (3)	158
O7—H22⋯O1	0.85	2.47	3.165 (2)	139
O7—H23⋯O6iv	0.85	1.88	2.700 (3)	162

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