Bis(2-amino-3H-benzothia-zolium) bis-(7-oxabicyclo-[2.2.1]heptane-2,3-di-carbox-yl-ato)manganate(II) hexa-hydrate.

In the crystal structure of the title salt, (C(7)H(7)N(2)S)(2)[Mn(C(8)H(8)O(5))(2)]·6H(2)O, the heterocyclic N atom of the 2-amino-benzothia-zole mol-ecule is protonated. The Mn(II) atom (site symmetry ) has a slightly distorted octa-hedral MnO(6) coordination defined by the bridging O atoms of the bicyclo-heptane unit and four carboxyl-ate O atoms of two symmetry-related and fully deprotonated ligands. The crystal packing is stabilized by N-H⋯O hydrogen bonds between the cations and anions and by O-H⋯O hydrogen bonds including the crystal water mol-ecules.

Related literature

7-Oxabicyclo­[2.2.1]heptane-2,3-dicarb­oxy­lic anhydride (nor­cantharidin) is a lower toxicity anti­cancer drug, see: Shimi et al. (1982 ▶). Manganese is a cofactor or required metal ion for many enzymes, see: Dukhande et al. (2006 ▶). For the isotypic structure of the Co analogue, see: Wang et al. (2010 ▶).

Experimental

Crystal data

(C7H7N2S)2[Mn(C8H8O5)2]·6H2O

M = 833.76

Triclinic,

a = 6.6937 (1) Å

b = 10.2209 (1) Å

c = 13.1163 (2) Å

α = 89.527 (1)°

β = 88.831 (1)°

γ = 81.514 (1)°

V = 887.34 (2) Å3

Z = 1

Mo Kα radiation

μ = 0.57 mm−1

T = 296 K

0.15 × 0.13 × 0.10 mm

Data collection

Bruker APEXII area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.916, T max = 0.944

14148 measured reflections

4089 independent reflections

3426 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.032

wR(F 2) = 0.093

S = 0.97

4089 reflections

262 parameters

10 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.31 e Å−3

Δρmin = −0.35 e Å−3

Data collection: APEX2 (Bruker, 2006 ▶); cell refinement: SAINT (Bruker, 2006 ▶); 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: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681002091X/wm2350sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681002091X/wm2350Isup2.hkl

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

(C7H7N2S)2[Mn(C8H8O5)2]·6H2O	Z = 1
Mr = 833.76	F(000) = 435
Triclinic, P1	Dx = 1.560 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.6937 (1) Å	Cell parameters from 5204 reflections
b = 10.2209 (1) Å	θ = 1.6–27.6°
c = 13.1163 (2) Å	µ = 0.57 mm−1
α = 89.527 (1)°	T = 296 K
β = 88.831 (1)°	Block, colourless
γ = 81.514 (1)°	0.15 × 0.13 × 0.10 mm
V = 887.34 (2) Å3

Bruker APEXII area-detector diffractometer	4089 independent reflections
Radiation source: fine-focus sealed tube	3426 reflections with I > 2σ(I)
graphite	Rint = 0.026
ω scans	θmax = 27.6°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −8→8
Tmin = 0.916, Tmax = 0.944	k = −12→13
14148 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)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.093	H atoms treated by a mixture of independent and constrained refinement
S = 0.97	w = 1/[σ2(Fo2) + (0.0536P)2 + 0.2749P] where P = (Fo2 + 2Fc2)/3
4089 reflections	(Δ/σ)max = 0.001
262 parameters	Δρmax = 0.31 e Å−3
10 restraints	Δρmin = −0.34 e Å−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
Mn1	1.0000	0.0000	0.0000	0.02770 (11)
S1	0.17382 (7)	0.26390 (4)	0.52462 (3)	0.03610 (12)
N1	0.2239 (2)	0.03022 (14)	0.60022 (10)	0.0278 (3)
H1N	0.236 (3)	−0.0300 (18)	0.6447 (14)	0.042*
N2	0.1568 (2)	0.19534 (15)	0.72262 (11)	0.0369 (3)
H2B	0.1649	0.1382	0.7714	0.044*
H2C	0.1309	0.2784	0.7360	0.044*
O1	0.7284 (2)	0.16252 (12)	0.25851 (8)	0.0361 (3)
O1W	0.6844 (3)	0.39782 (16)	0.37356 (12)	0.0552 (4)
H1WA	0.679 (4)	0.335 (2)	0.336 (2)	0.083*
H1WB	0.777 (4)	0.440 (2)	0.352 (2)	0.083*
O2	0.7957 (2)	0.01642 (11)	0.13318 (9)	0.0357 (3)
O2W	0.9775 (2)	0.52942 (14)	0.28069 (12)	0.0493 (4)
H2WA	1.013 (4)	0.480 (2)	0.2319 (15)	0.074*
H2WB	1.076 (3)	0.534 (3)	0.3180 (17)	0.074*
O3	1.12534 (19)	0.34977 (13)	0.14033 (10)	0.0392 (3)
O3W	0.3055 (3)	0.5480 (2)	0.40200 (13)	0.0654 (5)
H3WA	0.292 (5)	0.564 (3)	0.4616 (14)	0.098*
H3WB	0.416 (3)	0.505 (3)	0.389 (2)	0.098*
O4	1.12511 (18)	0.15814 (12)	0.06293 (10)	0.0356 (3)
O5	0.77654 (18)	0.16207 (11)	−0.06930 (8)	0.0303 (3)
C1	0.7329 (2)	0.13207 (16)	0.16658 (12)	0.0271 (3)
C2	0.6576 (2)	0.24024 (15)	0.09025 (11)	0.0260 (3)
H2A	0.5468	0.3013	0.1213	0.031*
C3	0.5877 (2)	0.18764 (16)	−0.00995 (12)	0.0298 (3)
H3A	0.5198	0.1095	−0.0011	0.036*
C4	0.4672 (3)	0.29791 (17)	−0.07160 (14)	0.0356 (4)
H4A	0.3680	0.3523	−0.0291	0.043*
H4B	0.3994	0.2628	−0.1277	0.043*
C5	0.6338 (3)	0.37615 (17)	−0.11049 (13)	0.0345 (4)
H5A	0.6423	0.3773	−0.1844	0.041*
H5B	0.6116	0.4663	−0.0856	0.041*
C6	0.8217 (3)	0.29710 (15)	−0.06493 (11)	0.0284 (3)
H6A	0.9469	0.3094	−0.1014	0.034*
C7	0.8286 (2)	0.32037 (15)	0.05059 (11)	0.0254 (3)
H7A	0.7900	0.4146	0.0654	0.030*
C8	1.0415 (2)	0.27264 (16)	0.08941 (12)	0.0279 (3)
C9	0.2250 (3)	0.12947 (18)	0.44134 (12)	0.0318 (4)
C10	0.2425 (3)	0.1306 (2)	0.33572 (13)	0.0420 (4)
H10A	0.2271	0.2098	0.2993	0.050*
C11	0.2835 (3)	0.0109 (2)	0.28654 (14)	0.0460 (5)
H11A	0.2955	0.0092	0.2158	0.055*
C12	0.3070 (3)	−0.1066 (2)	0.34058 (14)	0.0438 (5)
H12A	0.3348	−0.1860	0.3053	0.053*
C13	0.2903 (3)	−0.10923 (18)	0.44609 (13)	0.0346 (4)
H13A	0.3066	−0.1887	0.4822	0.042*
C14	0.2484 (2)	0.01083 (17)	0.49553 (12)	0.0281 (3)
C15	0.1837 (2)	0.15576 (16)	0.62770 (12)	0.0286 (3)

	U11	U22	U33	U12	U13	U23
Mn1	0.0344 (2)	0.01988 (18)	0.02706 (18)	0.00148 (14)	0.00271 (14)	−0.00338 (13)
S1	0.0469 (3)	0.0276 (2)	0.0324 (2)	−0.00140 (19)	−0.00021 (18)	0.00664 (17)
N1	0.0333 (7)	0.0255 (7)	0.0245 (6)	−0.0037 (6)	−0.0022 (5)	0.0037 (5)
N2	0.0529 (9)	0.0294 (8)	0.0276 (7)	−0.0034 (7)	0.0011 (6)	−0.0010 (6)
O1	0.0524 (8)	0.0284 (6)	0.0259 (6)	−0.0013 (5)	0.0028 (5)	0.0018 (5)
O1W	0.0639 (10)	0.0472 (9)	0.0544 (9)	−0.0090 (8)	0.0123 (7)	−0.0130 (7)
O2	0.0485 (7)	0.0245 (6)	0.0308 (6)	0.0045 (5)	0.0086 (5)	0.0026 (5)
O2W	0.0571 (9)	0.0365 (8)	0.0530 (9)	−0.0023 (7)	0.0064 (7)	−0.0124 (6)
O3	0.0376 (7)	0.0359 (7)	0.0449 (7)	−0.0064 (5)	−0.0048 (5)	−0.0132 (6)
O3W	0.0619 (11)	0.0738 (12)	0.0557 (10)	0.0070 (9)	−0.0036 (8)	−0.0071 (9)
O4	0.0322 (6)	0.0270 (6)	0.0461 (7)	0.0012 (5)	−0.0041 (5)	−0.0074 (5)
O5	0.0380 (6)	0.0235 (6)	0.0276 (5)	0.0021 (5)	−0.0013 (5)	−0.0050 (4)
C1	0.0276 (8)	0.0256 (8)	0.0274 (7)	−0.0030 (6)	0.0052 (6)	0.0024 (6)
C2	0.0273 (8)	0.0218 (7)	0.0272 (7)	0.0012 (6)	0.0043 (6)	0.0002 (6)
C3	0.0314 (8)	0.0238 (8)	0.0344 (8)	−0.0045 (6)	−0.0023 (6)	0.0000 (6)
C4	0.0362 (9)	0.0313 (9)	0.0381 (9)	−0.0001 (7)	−0.0094 (7)	0.0004 (7)
C5	0.0460 (10)	0.0268 (8)	0.0297 (8)	−0.0014 (7)	−0.0050 (7)	0.0046 (6)
C6	0.0339 (8)	0.0249 (8)	0.0255 (7)	−0.0025 (6)	0.0029 (6)	0.0015 (6)
C7	0.0307 (8)	0.0178 (7)	0.0272 (7)	−0.0023 (6)	0.0006 (6)	−0.0010 (6)
C8	0.0324 (8)	0.0261 (8)	0.0256 (7)	−0.0060 (7)	0.0017 (6)	−0.0017 (6)
C9	0.0303 (8)	0.0358 (9)	0.0289 (8)	−0.0038 (7)	−0.0031 (6)	0.0027 (7)
C10	0.0423 (10)	0.0552 (12)	0.0284 (8)	−0.0067 (9)	−0.0033 (7)	0.0094 (8)
C11	0.0425 (11)	0.0701 (14)	0.0257 (8)	−0.0088 (10)	−0.0021 (7)	−0.0047 (9)
C12	0.0360 (10)	0.0560 (12)	0.0399 (10)	−0.0073 (9)	0.0010 (8)	−0.0181 (9)
C13	0.0310 (9)	0.0358 (9)	0.0373 (9)	−0.0051 (7)	−0.0026 (7)	−0.0057 (7)
C14	0.0247 (8)	0.0334 (9)	0.0263 (7)	−0.0045 (6)	−0.0021 (6)	0.0002 (6)
C15	0.0293 (8)	0.0273 (8)	0.0292 (8)	−0.0037 (6)	−0.0024 (6)	0.0027 (6)

Mn1—O4	2.1083 (11)	C1—C2	1.522 (2)
Mn1—O4i	2.1083 (11)	C2—C3	1.532 (2)
Mn1—O2	2.1883 (11)	C2—C7	1.581 (2)
Mn1—O2i	2.1883 (11)	C2—H2A	0.9800
Mn1—O5i	2.2598 (11)	C3—C4	1.523 (2)
Mn1—O5	2.2598 (11)	C3—H3A	0.9800
S1—C15	1.7354 (16)	C4—C5	1.542 (3)
S1—C9	1.7519 (18)	C4—H4A	0.9700
N1—C15	1.323 (2)	C4—H4B	0.9700
N1—C14	1.392 (2)	C5—C6	1.521 (2)
N1—H1N	0.841 (15)	C5—H5A	0.9700
N2—C15	1.313 (2)	C5—H5B	0.9700
N2—H2B	0.8600	C6—C7	1.538 (2)
N2—H2C	0.8600	C6—H6A	0.9800
O1—C1	1.2465 (19)	C7—C8	1.532 (2)
O1W—H1WA	0.812 (16)	C7—H7A	0.9800
O1W—H1WB	0.847 (16)	C9—C10	1.388 (2)
O2—C1	1.2729 (19)	C9—C14	1.391 (2)
O2W—H2WA	0.826 (16)	C10—C11	1.377 (3)
O2W—H2WB	0.835 (16)	C10—H10A	0.9300
O3—C8	1.2397 (19)	C11—C12	1.381 (3)
O3W—H3WA	0.802 (17)	C11—H11A	0.9300
O3W—H3WB	0.823 (17)	C12—C13	1.387 (3)
O4—C8	1.268 (2)	C12—H12A	0.9300
O5—C6	1.4577 (19)	C13—C14	1.382 (2)
O5—C3	1.462 (2)	C13—H13A	0.9300
O4—Mn1—O4i	180.00 (7)	C5—C4—H4A	111.4
O4—Mn1—O2	86.35 (5)	C3—C4—H4B	111.4
O4i—Mn1—O2	93.65 (5)	C5—C4—H4B	111.4
O4—Mn1—O2i	93.65 (5)	H4A—C4—H4B	109.3
O4i—Mn1—O2i	86.35 (5)	C6—C5—C4	101.69 (13)
O2—Mn1—O2i	180.00 (8)	C6—C5—H5A	111.4
O4—Mn1—O5i	95.79 (4)	C4—C5—H5A	111.4
O4i—Mn1—O5i	84.21 (4)	C6—C5—H5B	111.4
O2—Mn1—O5i	94.16 (4)	C4—C5—H5B	111.4
O2i—Mn1—O5i	85.84 (4)	H5A—C5—H5B	109.3
O4—Mn1—O5	84.21 (4)	O5—C6—C5	102.21 (13)
O4i—Mn1—O5	95.79 (4)	O5—C6—C7	102.25 (11)
O2—Mn1—O5	85.84 (4)	C5—C6—C7	111.05 (13)
O2i—Mn1—O5	94.16 (4)	O5—C6—H6A	113.4
O5i—Mn1—O5	180.00 (9)	C5—C6—H6A	113.4
C15—S1—C9	90.04 (8)	C7—C6—H6A	113.4
C15—N1—C14	114.40 (13)	C8—C7—C6	110.03 (13)
C15—N1—H1N	120.2 (15)	C8—C7—C2	115.94 (12)
C14—N1—H1N	125.4 (15)	C6—C7—C2	100.67 (12)
C15—N2—H2B	120.0	C8—C7—H7A	109.9
C15—N2—H2C	120.0	C6—C7—H7A	109.9
H2B—N2—H2C	120.0	C2—C7—H7A	109.9
H1WA—O1W—H1WB	109 (2)	O3—C8—O4	123.92 (16)
C1—O2—Mn1	117.36 (10)	O3—C8—C7	118.49 (14)
H2WA—O2W—H2WB	110 (2)	O4—C8—C7	117.49 (13)
H3WA—O3W—H3WB	112 (2)	C10—C9—C14	120.86 (17)
C8—O4—Mn1	130.31 (11)	C10—C9—S1	128.60 (15)
C6—O5—C3	95.66 (11)	C14—C9—S1	110.53 (12)
C6—O5—Mn1	117.76 (9)	C11—C10—C9	117.93 (18)
C3—O5—Mn1	112.38 (9)	C11—C10—H10A	121.0
O1—C1—O2	123.97 (15)	C9—C10—H10A	121.0
O1—C1—C2	117.61 (14)	C10—C11—C12	121.05 (17)
O2—C1—C2	118.42 (13)	C10—C11—H11A	119.5
C1—C2—C3	113.69 (13)	C12—C11—H11A	119.5
C1—C2—C7	113.13 (13)	C11—C12—C13	121.61 (18)
C3—C2—C7	101.24 (12)	C11—C12—H12A	119.2
C1—C2—H2A	109.5	C13—C12—H12A	119.2
C3—C2—H2A	109.5	C14—C13—C12	117.40 (17)
C7—C2—H2A	109.5	C14—C13—H13A	121.3
O5—C3—C4	101.85 (13)	C12—C13—H13A	121.3
O5—C3—C2	102.11 (12)	C13—C14—C9	121.14 (15)
C4—C3—C2	111.14 (13)	C13—C14—N1	126.60 (15)
O5—C3—H3A	113.5	C9—C14—N1	112.26 (14)
C4—C3—H3A	113.5	N2—C15—N1	124.04 (15)
C2—C3—H3A	113.5	N2—C15—S1	123.19 (13)
C3—C4—C5	101.90 (14)	N1—C15—S1	112.76 (12)
C3—C4—H4A	111.4
O4—Mn1—O2—C1	36.93 (12)	Mn1—O5—C6—C7	−60.82 (13)
O4i—Mn1—O2—C1	−143.07 (12)	C4—C5—C6—O5	34.93 (15)
O5i—Mn1—O2—C1	132.48 (12)	C4—C5—C6—C7	−73.49 (16)
O5—Mn1—O2—C1	−47.52 (12)	O5—C6—C7—C8	87.29 (14)
O2—Mn1—O4—C8	−55.66 (14)	C5—C6—C7—C8	−164.32 (13)
O2i—Mn1—O4—C8	124.34 (14)	O5—C6—C7—C2	−35.56 (14)
O5i—Mn1—O4—C8	−149.48 (14)	C5—C6—C7—C2	72.82 (15)
O5—Mn1—O4—C8	30.52 (14)	C1—C2—C7—C8	3.37 (18)
O4—Mn1—O5—C6	12.07 (10)	C3—C2—C7—C8	−118.65 (14)
O4i—Mn1—O5—C6	−167.93 (10)	C1—C2—C7—C6	122.02 (14)
O2—Mn1—O5—C6	98.81 (10)	C3—C2—C7—C6	−0.01 (14)
O2i—Mn1—O5—C6	−81.19 (10)	Mn1—O4—C8—O3	168.08 (12)
O4—Mn1—O5—C3	−97.64 (10)	Mn1—O4—C8—C7	−15.5 (2)
O4i—Mn1—O5—C3	82.36 (10)	C6—C7—C8—O3	127.93 (15)
O2—Mn1—O5—C3	−10.90 (9)	C2—C7—C8—O3	−118.70 (16)
O2i—Mn1—O5—C3	169.10 (9)	C6—C7—C8—O4	−48.67 (18)
Mn1—O2—C1—O1	−134.48 (14)	C2—C7—C8—O4	64.70 (18)
Mn1—O2—C1—C2	45.82 (17)	C15—S1—C9—C10	179.41 (17)
O1—C1—C2—C3	−156.51 (14)	C15—S1—C9—C14	−0.48 (13)
O2—C1—C2—C3	23.2 (2)	C14—C9—C10—C11	0.0 (3)
O1—C1—C2—C7	88.73 (17)	S1—C9—C10—C11	−179.86 (14)
O2—C1—C2—C7	−91.56 (17)	C9—C10—C11—C12	−0.2 (3)
C6—O5—C3—C4	56.86 (13)	C10—C11—C12—C13	0.1 (3)
Mn1—O5—C3—C4	−179.98 (9)	C11—C12—C13—C14	0.2 (3)
C6—O5—C3—C2	−58.10 (13)	C12—C13—C14—C9	−0.3 (2)
Mn1—O5—C3—C2	65.06 (12)	C12—C13—C14—N1	179.42 (16)
C1—C2—C3—O5	−86.20 (14)	C10—C9—C14—C13	0.2 (3)
C7—C2—C3—O5	35.44 (14)	S1—C9—C14—C13	−179.86 (13)
C1—C2—C3—C4	165.85 (13)	C10—C9—C14—N1	−179.55 (16)
C7—C2—C3—C4	−72.52 (16)	S1—C9—C14—N1	0.36 (17)
O5—C3—C4—C5	−35.17 (15)	C15—N1—C14—C13	−179.74 (16)
C2—C3—C4—C5	72.95 (17)	C15—N1—C14—C9	0.0 (2)
C3—C4—C5—C6	0.24 (16)	C14—N1—C15—N2	−179.49 (15)
C3—O5—C6—C5	−56.87 (13)	C14—N1—C15—S1	−0.41 (18)
Mn1—O5—C6—C5	−175.85 (9)	C9—S1—C15—N2	179.61 (15)
C3—O5—C6—C7	58.16 (13)	C9—S1—C15—N1	0.51 (13)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N···O1ii	0.84 (2)	1.84 (2)	2.6822 (18)	178 (2)
N2—H2B···O2ii	0.86	2.00	2.8490 (19)	170
N2—H2C···O2Wiii	0.86	2.00	2.824 (2)	160
O1W—H1WA···O1	0.81 (2)	2.03 (2)	2.8250 (19)	166 (3)
O1W—H1WB···O2W	0.85 (2)	1.95 (2)	2.792 (2)	170 (3)
O2W—H2WA···O3	0.83 (2)	1.87 (2)	2.6806 (19)	169 (3)
O2W—H2WB···O3Wiv	0.84 (2)	1.93 (2)	2.768 (2)	178 (3)
O3W—H3WA···O1Wiii	0.80 (2)	2.21 (2)	3.004 (2)	169 (3)
O3W—H3WB···O1W	0.82 (2)	1.97 (2)	2.784 (2)	173 (3)

Table 1

Selected bond lengths (Å)

Mn1—O4	2.1083 (11)
Mn1—O2	2.1883 (11)
Mn1—O5	2.2598 (11)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1N⋯O1i	0.84 (2)	1.84 (2)	2.6822 (18)	178 (2)
N2—H2B⋯O2i	0.86	2.00	2.8490 (19)	170
N2—H2C⋯O2Wii	0.86	2.00	2.824 (2)	160
O1W—H1WA⋯O1	0.81 (2)	2.03 (2)	2.8250 (19)	166 (3)
O1W—H1WB⋯O2W	0.85 (2)	1.95 (2)	2.792 (2)	170 (3)
O2W—H2WA⋯O3	0.83 (2)	1.87 (2)	2.6806 (19)	169 (3)
O2W—H2WB⋯O3Wiii	0.84 (2)	1.93 (2)	2.768 (2)	178 (3)
O3W—H3WA⋯O1Wii	0.80 (2)	2.21 (2)	3.004 (2)	169 (3)
O3W—H3WB⋯O1W	0.82 (2)	1.97 (2)	2.784 (2)	173 (3)

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