4-Hy-droxy-3-(3-meth-oxybenzoyl)-2-[(3-meth-oxybenzoyl)methyl]-2H-1,2-benzothia-zine 1,1-dioxide.

In the title compound, C(25)H(21)NO(7)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by -0.284 (3) and 0.411 (3) Å, respectively, from the plane formed by the remaining ring atoms; the puckering parameters are: Q = 0.4576 (13) Å, θ = 58.6 (2) and ϕ = 34.3 (3)°. The structure is devoid of any classical hydrogen bonds. However, intra-molecular C-H⋯N and O-H⋯O hydrogen bonds result in six-membered rings and inter-molecular C-H⋯O inter-actions stabilize the crystal structure.

Related literature

For the biological applications of benzothia­zines, see: Lombardino et al. (1972 ▶); Zinnes et al. (1982 ▶); Zia-ur-Rehman et al. (2005 ▶); Turck et al. (1996 ▶); Ahmad et al. (2010 ▶). For related structures, see: Siddiqui et al. (2008 ▶). For puckering parameters, see: Cremer & Pople (1975 ▶).

Experimental

Crystal data

C25H21NO7S

M = 479.49

Triclinic,

a = 10.3169 (2) Å

b = 10.6923 (3) Å

c = 11.6867 (3) Å

α = 115.5965 (11)°

β = 105.8041 (14)°

γ = 97.6128 (13)°

V = 1071.22 (5) Å3

Z = 2

Mo Kα radiation

μ = 0.20 mm−1

T = 173 K

0.24 × 0.16 × 0.08 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (SORTAV; Blessing, 1997 ▶) T min = 0.953, T max = 0.984

9164 measured reflections

4860 independent reflections

4419 reflections with (I) > 2.0 σ(I)

R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.098

S = 1.07

4860 reflections

310 parameters

H-atom parameters constrained

Δρmax = 0.37 e Å−3

Δρmin = −0.42 e Å−3

Data collection: COLLECT (Hooft, 1998 ▶); cell refinement: HKL DENZO (Otwinowski & Minor, 1997 ▶); data reduction: SCALEPACK (Otwinowski & Minor, 1997 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks Global, I. DOI: 10.1107/S1600536810031673/jh2194sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810031673/jh2194Isup2.hkl

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

C25H21NO7S	Z = 2
Mr = 479.49	F(000) = 500
Triclinic, P1	Dx = 1.487 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.3169 (2) Å	Cell parameters from 4699 reflections
b = 10.6923 (3) Å	θ = 1.0–27.5°
c = 11.6867 (3) Å	µ = 0.20 mm−1
α = 115.5965 (11)°	T = 173 K
β = 105.8041 (14)°	Prism, yellow
γ = 97.6128 (13)°	0.24 × 0.16 × 0.08 mm
V = 1071.22 (5) Å3

Nonius KappaCCD diffractometer	4860 independent reflections
Radiation source: fine-focus sealed tube	4419 reflections with (I) > 2.0 σ(I)
graphite	Rint = 0.021
ω and φ scans	θmax = 27.5°, θmin = 2.1°
Absorption correction: multi-scan (SORTAV; Blessing, 1997)	h = −13→13
Tmin = 0.953, Tmax = 0.984	k = −13→13
9164 measured reflections	l = −15→15

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)] = 0.038	Hydrogen site location: difference Fourier map
wR(F2) = 0.098	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.0352P)2 + 0.7607P] where P = (Fo2 + 2Fc2)/3
4860 reflections	(Δ/σ)max < 0.001
310 parameters	Δρmax = 0.37 e Å−3
0 restraints	Δρmin = −0.42 e Å−3

Experimental. Yield: 2.44 g, 85%, m.p. 434–435 K, IR (KBr, νmax): 2972, 1708, 1331, 1172 cm-1, EI—MS (m/z): 479.0

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
S1	0.29020 (4)	0.27269 (4)	0.29750 (3)	0.01827 (10)
O1	0.23063 (12)	0.17819 (13)	0.33899 (11)	0.0256 (2)
O2	0.33929 (12)	0.42553 (12)	0.39028 (11)	0.0259 (2)
O3	0.23349 (13)	−0.08669 (12)	−0.08736 (11)	0.0273 (3)
H3O	0.2898	−0.1328	−0.0726	0.041*
O4	0.42851 (13)	−0.14158 (13)	0.03455 (12)	0.0320 (3)
O5	0.70078 (13)	0.17729 (14)	0.64535 (12)	0.0310 (3)
O6	0.42789 (11)	0.38168 (13)	0.12184 (12)	0.0281 (3)
O7	1.04913 (12)	0.66025 (14)	0.44194 (12)	0.0313 (3)
N1	0.41973 (12)	0.22081 (13)	0.25537 (12)	0.0175 (2)
C1	0.16599 (15)	0.23577 (16)	0.14140 (15)	0.0195 (3)
C2	0.07019 (16)	0.31470 (18)	0.14134 (17)	0.0251 (3)
H2	0.0773	0.3954	0.2236	0.030*
C3	−0.03709 (17)	0.27353 (19)	0.01822 (18)	0.0277 (3)
H3	−0.1043	0.3261	0.0163	0.033*
C4	−0.04588 (16)	0.15639 (18)	−0.10117 (16)	0.0260 (3)
H4	−0.1208	0.1274	−0.1842	0.031*
C5	0.05357 (16)	0.08082 (17)	−0.10094 (15)	0.0231 (3)
H5	0.0480	0.0024	−0.1840	0.028*
C6	0.16194 (15)	0.11974 (16)	0.02119 (15)	0.0193 (3)
C8	0.38133 (15)	0.07832 (15)	0.14093 (14)	0.0185 (3)
C7	0.26316 (15)	0.03505 (16)	0.02289 (15)	0.0198 (3)
C9	0.45739 (16)	−0.02239 (16)	0.14564 (15)	0.0219 (3)
C10	0.56820 (16)	−0.00465 (16)	0.26834 (16)	0.0218 (3)
C11	0.65958 (18)	−0.09010 (18)	0.24566 (18)	0.0278 (3)
H11	0.6521	−0.1530	0.1552	0.033*
C12	0.76153 (19)	−0.0826 (2)	0.35613 (19)	0.0337 (4)
H12	0.8241	−0.1403	0.3408	0.040*
C13	0.77297 (18)	0.0075 (2)	0.48786 (18)	0.0311 (4)
H13	0.8431	0.0116	0.5626	0.037*
C14	0.68140 (17)	0.09261 (17)	0.51133 (16)	0.0245 (3)
C15	0.57875 (16)	0.08652 (16)	0.40222 (16)	0.0223 (3)
H15	0.5159	0.1438	0.4180	0.027*
C16	0.6187 (2)	0.2765 (2)	0.67580 (18)	0.0354 (4)
H16A	0.6443	0.3321	0.7749	0.043*
H16B	0.5186	0.2226	0.6324	0.043*
H16C	0.6370	0.3429	0.6410	0.043*
C17	0.54988 (15)	0.32707 (16)	0.29135 (15)	0.0194 (3)
H17A	0.6254	0.2789	0.2869	0.023*
H17B	0.5774	0.4045	0.3870	0.023*
C18	0.54062 (15)	0.39652 (16)	0.20087 (15)	0.0194 (3)
C19	0.67638 (15)	0.48054 (16)	0.21338 (15)	0.0199 (3)
C20	0.79776 (16)	0.53606 (16)	0.33060 (15)	0.0216 (3)
H20	0.7942	0.5258	0.4066	0.026*
C21	0.92400 (15)	0.60661 (16)	0.33434 (16)	0.0222 (3)
C22	0.92881 (17)	0.62253 (17)	0.22334 (17)	0.0250 (3)
H22	1.0154	0.6691	0.2257	0.030*
C23	0.80723 (17)	0.57047 (18)	0.10920 (17)	0.0263 (3)
H23	0.8104	0.5839	0.0347	0.032*
C24	0.68086 (16)	0.49892 (17)	0.10313 (16)	0.0233 (3)
H24	0.5980	0.4627	0.0245	0.028*
C25	1.04318 (18)	0.7108 (2)	0.57431 (17)	0.0323 (4)
H25A	1.1368	0.7708	0.6436	0.039*
H25B	1.0120	0.6279	0.5859	0.039*
H25C	0.9767	0.7687	0.5845	0.039*

	U11	U22	U33	U12	U13	U23
S1	0.01845 (17)	0.01876 (18)	0.01474 (17)	0.00516 (13)	0.00559 (13)	0.00620 (14)
O1	0.0246 (5)	0.0319 (6)	0.0240 (6)	0.0064 (5)	0.0112 (4)	0.0160 (5)
O2	0.0275 (6)	0.0205 (6)	0.0193 (5)	0.0081 (4)	0.0047 (4)	0.0030 (4)
O3	0.0335 (6)	0.0221 (6)	0.0177 (5)	0.0075 (5)	0.0065 (5)	0.0045 (5)
O4	0.0389 (7)	0.0217 (6)	0.0249 (6)	0.0131 (5)	0.0092 (5)	0.0028 (5)
O5	0.0354 (6)	0.0343 (7)	0.0230 (6)	0.0139 (5)	0.0076 (5)	0.0147 (5)
O6	0.0193 (5)	0.0358 (7)	0.0315 (6)	0.0052 (5)	0.0049 (5)	0.0220 (5)
O7	0.0183 (5)	0.0408 (7)	0.0251 (6)	0.0006 (5)	0.0046 (5)	0.0123 (5)
N1	0.0169 (6)	0.0149 (6)	0.0167 (6)	0.0026 (4)	0.0053 (5)	0.0056 (5)
C1	0.0163 (6)	0.0218 (7)	0.0184 (7)	0.0026 (5)	0.0047 (5)	0.0101 (6)
C2	0.0231 (7)	0.0268 (8)	0.0246 (8)	0.0079 (6)	0.0087 (6)	0.0117 (7)
C3	0.0218 (7)	0.0316 (9)	0.0335 (9)	0.0092 (6)	0.0082 (7)	0.0200 (7)
C4	0.0201 (7)	0.0302 (8)	0.0246 (8)	0.0003 (6)	0.0017 (6)	0.0166 (7)
C5	0.0225 (7)	0.0236 (8)	0.0176 (7)	−0.0006 (6)	0.0041 (6)	0.0093 (6)
C6	0.0187 (7)	0.0188 (7)	0.0179 (7)	0.0007 (5)	0.0052 (5)	0.0091 (6)
C8	0.0202 (7)	0.0164 (7)	0.0174 (7)	0.0035 (5)	0.0080 (5)	0.0068 (6)
C7	0.0231 (7)	0.0180 (7)	0.0169 (7)	0.0028 (6)	0.0085 (6)	0.0077 (6)
C9	0.0241 (7)	0.0189 (7)	0.0212 (7)	0.0043 (6)	0.0093 (6)	0.0084 (6)
C10	0.0236 (7)	0.0190 (7)	0.0257 (8)	0.0066 (6)	0.0101 (6)	0.0126 (6)
C11	0.0347 (9)	0.0244 (8)	0.0300 (8)	0.0136 (7)	0.0163 (7)	0.0141 (7)
C12	0.0360 (9)	0.0369 (10)	0.0411 (10)	0.0229 (8)	0.0188 (8)	0.0237 (8)
C13	0.0301 (9)	0.0352 (9)	0.0335 (9)	0.0148 (7)	0.0087 (7)	0.0218 (8)
C14	0.0261 (8)	0.0243 (8)	0.0262 (8)	0.0070 (6)	0.0095 (6)	0.0151 (7)
C15	0.0236 (7)	0.0208 (7)	0.0260 (8)	0.0081 (6)	0.0095 (6)	0.0137 (6)
C16	0.0469 (11)	0.0305 (9)	0.0256 (8)	0.0165 (8)	0.0121 (8)	0.0103 (7)
C17	0.0167 (6)	0.0182 (7)	0.0192 (7)	0.0012 (5)	0.0037 (5)	0.0085 (6)
C18	0.0193 (7)	0.0175 (7)	0.0190 (7)	0.0049 (5)	0.0060 (5)	0.0076 (6)
C19	0.0197 (7)	0.0177 (7)	0.0227 (7)	0.0056 (5)	0.0085 (6)	0.0099 (6)
C20	0.0217 (7)	0.0208 (7)	0.0210 (7)	0.0048 (6)	0.0074 (6)	0.0099 (6)
C21	0.0191 (7)	0.0197 (7)	0.0238 (7)	0.0046 (6)	0.0065 (6)	0.0086 (6)
C22	0.0244 (8)	0.0224 (7)	0.0302 (8)	0.0053 (6)	0.0129 (6)	0.0134 (7)
C23	0.0306 (8)	0.0274 (8)	0.0276 (8)	0.0084 (7)	0.0144 (7)	0.0169 (7)
C24	0.0236 (7)	0.0245 (8)	0.0230 (7)	0.0071 (6)	0.0074 (6)	0.0133 (6)
C25	0.0263 (8)	0.0363 (9)	0.0233 (8)	0.0068 (7)	0.0041 (6)	0.0090 (7)

S1—O2	1.4329 (11)	C10—C15	1.404 (2)
S1—O1	1.4334 (11)	C11—C12	1.389 (2)
S1—N1	1.6294 (12)	C11—H11	0.9500
S1—C1	1.7597 (15)	C12—C13	1.379 (3)
O3—C7	1.2956 (18)	C12—H12	0.9500
O3—H3O	0.8400	C13—C14	1.396 (2)
O4—C9	1.2875 (19)	C13—H13	0.9500
O5—C14	1.367 (2)	C14—C15	1.388 (2)
O5—C16	1.430 (2)	C15—H15	0.9500
O6—C18	1.2126 (18)	C16—H16A	0.9800
O7—C21	1.3686 (18)	C16—H16B	0.9800
O7—C25	1.424 (2)	C16—H16C	0.9800
N1—C8	1.4344 (18)	C17—C18	1.523 (2)
N1—C17	1.4651 (17)	C17—H17A	0.9900
C1—C2	1.382 (2)	C17—H17B	0.9900
C1—C6	1.401 (2)	C18—C19	1.494 (2)
C2—C3	1.395 (2)	C19—C24	1.396 (2)
C2—H2	0.9500	C19—C20	1.401 (2)
C3—C4	1.384 (2)	C20—C21	1.396 (2)
C3—H3	0.9500	C20—H20	0.9500
C4—C5	1.388 (2)	C21—C22	1.392 (2)
C4—H4	0.9500	C22—C23	1.387 (2)
C5—C6	1.398 (2)	C22—H22	0.9500
C5—H5	0.9500	C23—C24	1.389 (2)
C6—C7	1.472 (2)	C23—H23	0.9500
C8—C7	1.409 (2)	C24—H24	0.9500
C8—C9	1.425 (2)	C25—H25A	0.9800
C9—C10	1.488 (2)	C25—H25B	0.9800
C10—C11	1.396 (2)	C25—H25C	0.9800
O2—S1—O1	118.83 (7)	C12—C13—C14	119.97 (16)
O2—S1—N1	108.34 (7)	C12—C13—H13	120.0
O1—S1—N1	108.04 (7)	C14—C13—H13	120.0
O2—S1—C1	110.07 (7)	O5—C14—C15	124.51 (15)
O1—S1—C1	107.34 (7)	O5—C14—C13	115.40 (14)
N1—S1—C1	103.07 (7)	C15—C14—C13	120.08 (15)
C7—O3—H3O	109.5	C14—C15—C10	119.71 (14)
C14—O5—C16	117.64 (13)	C14—C15—H15	120.1
C21—O7—C25	117.12 (13)	C10—C15—H15	120.1
C8—N1—C17	119.25 (11)	O5—C16—H16A	109.5
C8—N1—S1	115.44 (9)	O5—C16—H16B	109.5
C17—N1—S1	120.85 (10)	H16A—C16—H16B	109.5
C2—C1—C6	122.10 (14)	O5—C16—H16C	109.5
C2—C1—S1	119.57 (12)	H16A—C16—H16C	109.5
C6—C1—S1	118.19 (11)	H16B—C16—H16C	109.5
C1—C2—C3	118.73 (15)	N1—C17—C18	114.76 (12)
C1—C2—H2	120.6	N1—C17—H17A	108.6
C3—C2—H2	120.6	C18—C17—H17A	108.6
C4—C3—C2	120.18 (15)	N1—C17—H17B	108.6
C4—C3—H3	119.9	C18—C17—H17B	108.6
C2—C3—H3	119.9	H17A—C17—H17B	107.6
C3—C4—C5	120.69 (14)	O6—C18—C19	122.43 (14)
C3—C4—H4	119.7	O6—C18—C17	120.85 (13)
C5—C4—H4	119.7	C19—C18—C17	116.71 (12)
C4—C5—C6	120.20 (15)	C24—C19—C20	120.41 (14)
C4—C5—H5	119.9	C24—C19—C18	118.28 (13)
C6—C5—H5	119.9	C20—C19—C18	121.27 (13)
C5—C6—C1	118.03 (14)	C21—C20—C19	119.16 (14)
C5—C6—C7	120.31 (14)	C21—C20—H20	120.4
C1—C6—C7	121.57 (13)	C19—C20—H20	120.4
C7—C8—C9	119.14 (13)	O7—C21—C22	115.97 (14)
C7—C8—N1	119.46 (13)	O7—C21—C20	123.67 (14)
C9—C8—N1	121.37 (13)	C22—C21—C20	120.34 (14)
O3—C7—C8	121.27 (14)	C23—C22—C21	120.02 (14)
O3—C7—C6	116.54 (13)	C23—C22—H22	120.0
C8—C7—C6	122.05 (13)	C21—C22—H22	120.0
O4—C9—C8	118.14 (14)	C22—C23—C24	120.47 (15)
O4—C9—C10	115.58 (14)	C22—C23—H23	119.8
C8—C9—C10	126.27 (14)	C24—C23—H23	119.8
C11—C10—C15	119.87 (14)	C23—C24—C19	119.57 (14)
C11—C10—C9	116.94 (14)	C23—C24—H24	120.2
C15—C10—C9	123.09 (14)	C19—C24—H24	120.2
C12—C11—C10	119.58 (16)	O7—C25—H25A	109.5
C12—C11—H11	120.2	O7—C25—H25B	109.5
C10—C11—H11	120.2	H25A—C25—H25B	109.5
C13—C12—C11	120.78 (16)	O7—C25—H25C	109.5
C13—C12—H12	119.6	H25A—C25—H25C	109.5
C11—C12—H12	119.6	H25B—C25—H25C	109.5
O2—S1—N1—C8	−166.79 (10)	N1—C8—C9—C10	8.9 (2)
O1—S1—N1—C8	63.25 (12)	O4—C9—C10—C11	20.3 (2)
C1—S1—N1—C8	−50.17 (12)	C8—C9—C10—C11	−160.34 (15)
O2—S1—N1—C17	−10.66 (13)	O4—C9—C10—C15	−156.17 (15)
O1—S1—N1—C17	−140.62 (11)	C8—C9—C10—C15	23.2 (2)
C1—S1—N1—C17	105.97 (11)	C15—C10—C11—C12	−0.9 (2)
O2—S1—C1—C2	−38.43 (14)	C9—C10—C11—C12	−177.40 (15)
O1—S1—C1—C2	92.25 (13)	C10—C11—C12—C13	0.4 (3)
N1—S1—C1—C2	−153.82 (12)	C11—C12—C13—C14	0.0 (3)
O2—S1—C1—C6	145.82 (11)	C16—O5—C14—C15	−6.3 (2)
O1—S1—C1—C6	−83.50 (12)	C16—O5—C14—C13	174.28 (15)
N1—S1—C1—C6	30.43 (13)	C12—C13—C14—O5	179.53 (16)
C6—C1—C2—C3	2.6 (2)	C12—C13—C14—C15	0.1 (3)
S1—C1—C2—C3	−172.99 (12)	O5—C14—C15—C10	−179.92 (14)
C1—C2—C3—C4	−0.5 (2)	C13—C14—C15—C10	−0.5 (2)
C2—C3—C4—C5	−1.7 (2)	C11—C10—C15—C14	0.9 (2)
C3—C4—C5—C6	1.9 (2)	C9—C10—C15—C14	177.24 (14)
C4—C5—C6—C1	0.2 (2)	C8—N1—C17—C18	77.60 (17)
C4—C5—C6—C7	176.77 (13)	S1—N1—C17—C18	−77.64 (15)
C2—C1—C6—C5	−2.4 (2)	N1—C17—C18—O6	11.8 (2)
S1—C1—C6—C5	173.19 (11)	N1—C17—C18—C19	−167.24 (12)
C2—C1—C6—C7	−178.99 (14)	O6—C18—C19—C24	−22.8 (2)
S1—C1—C6—C7	−3.36 (19)	C17—C18—C19—C24	156.26 (14)
C17—N1—C8—C7	−111.52 (15)	O6—C18—C19—C20	159.16 (15)
S1—N1—C8—C7	45.01 (16)	C17—C18—C19—C20	−21.8 (2)
C17—N1—C8—C9	70.61 (18)	C24—C19—C20—C21	−1.7 (2)
S1—N1—C8—C9	−132.85 (12)	C18—C19—C20—C21	176.33 (14)
C9—C8—C7—O3	−9.2 (2)	C25—O7—C21—C22	150.29 (15)
N1—C8—C7—O3	172.85 (13)	C25—O7—C21—C20	−31.4 (2)
C9—C8—C7—C6	166.26 (13)	C19—C20—C21—O7	−177.72 (14)
N1—C8—C7—C6	−11.6 (2)	C19—C20—C21—C22	0.5 (2)
C5—C6—C7—O3	−10.3 (2)	O7—C21—C22—C23	179.53 (15)
C1—C6—C7—O3	166.13 (13)	C20—C21—C22—C23	1.2 (2)
C5—C6—C7—C8	173.95 (13)	C21—C22—C23—C24	−1.7 (2)
C1—C6—C7—C8	−9.6 (2)	C22—C23—C24—C19	0.5 (2)
C7—C8—C9—O4	10.4 (2)	C20—C19—C24—C23	1.2 (2)
N1—C8—C9—O4	−171.74 (13)	C18—C19—C24—C23	−176.90 (14)
C7—C8—C9—C10	−169.00 (14)

D—H···A	D—H	H···A	D···A	D—H···A
C25—H25C···O1i	0.98	2.57	3.438 (2)	147
C17—H17B···O2i	0.99	2.26	3.244 (2)	174
C17—H17B···O2	0.99	2.51	2.844 (2)	100
C15—H15···N1	0.95	2.41	2.986 (2)	119
O3—H3O···O4	0.84	1.67	2.428 (2)	149

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C25—H25C⋯O1i	0.98	2.57	3.438 (2)	147
C17—H17B⋯O2i	0.99	2.26	3.244 (2)	174
C15—H15⋯N1	0.95	2.41	2.986 (2)	119
O3—H3O⋯O4	0.84	1.67	2.428 (2)	149

Symmetry code: (i) .