4-Iodo-N-(phenyl­sulfon­yl)benzamide hemihydrate

In the title hemihydrate, 2C₁₃H₁₀INO₃S·H₂O, there are two organic mol­ecules (A and B) and one water mol­ecule in the asymmetric unit. The benzene rings are inclined to one another by 77.98 (1)° in A and 79.81 (9)° in B. The A and B mol­ecules are connected through a water mol­ecule via N—H...O and O—H...O hydrogen bonds. In the extended structure, the A mol­ecules are inter­linked via two water mol­ecules through O—H...O hydrogen bonds to generate R⁴₄(12) loops. Further, the A and B mol­ecules are linked by N—H...O hydrogen bonds, and thus an [010] chain is formed. Several C—H...O inter­actions extend the chains into sheet lying parallel to the ab-plane. The sheets are further extended into a three dimensional architecture via a C—H...π inter­action.

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.041
• wR factor = 0.114
• Data-to-parameter ratio = 12.4

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Datablock: I


Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.585         75 Report
PLAT976_ALERT_2_C Check Calcd Residual Density  1.06A From      N1      -0.64 eA-3
PLAT977_ALERT_2_C Check the Negative Difference Density on      H3      -0.62 eA-3
PLAT977_ALERT_2_C Check the Negative Difference Density on     Hn1      -0.37 eA-3
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Note

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          7 Note
PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical          ? Check
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PLAT802_ALERT_4_G CIF Input Record(s) with more than 80 Characters          2 Info
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          4 Note
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) Still          91 % Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          5 Note

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Computing details

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT-Plus (Bruker, 2009); data reduction: SAINT-Plus (Bruker, 2009); program(s) used to solve structure: SHELXT2016/4 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2016/4 (Sheldrick, 2015b); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: SHELXL2016/4 (Sheldrick, 2015b).

4-Iodo-N-(phenylsulfonyl)benzamide hemihydrate

Crystal data

2C13H10INO3S·H2O	F(000) = 772
Mr = 792.37	Prism
Triclinic, P1	Dx = 1.909 Mg m^−3
Hall symbol: -P 1	Melting point: 460 K
a = 10.6311 (5) Å	Cu Kα radiation, λ = 1.54178 Å
b = 11.0403 (5) Å	Cell parameters from 175 reflections
c = 12.0340 (6) Å	θ = 3.7–64.5°
α = 97.594 (2)°	µ = 19.75 mm^−1
β = 92.173 (2)°	T = 173 K
γ = 99.423 (1)°	Prism, colourless
V = 1378.59 (11) Å^3	0.22 × 0.11 × 0.08 mm
Z = 2

Data collection

Bruker APEXII diffractometer	4351 reflections with I > 2σ(I)
Radiation source: CuKα	Rint = 0.052
Graphite monochromator	θmax = 64.5°, θmin = 3.7°
phi and φ scans	h = −12→12
Absorption correction: multi-scan (SADABS; Bruker, 2009)	k = −12→12
Tmin = 0.111, Tmax = 0.206	l = −13→12
14470 measured reflections	1 standard reflections every 2 reflections
4556 independent reflections	intensity decay: 0.1%

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.041	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.114	w = 1/[σ^2(Fo^2) + (0.0797P)^2 + 0.2627P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.001
4556 reflections	Δρmax = 1.23 e Å^−3
368 parameters	Δρmin = −1.18 e Å^−3
4 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq
I1	0.90191 (2)	0.36213 (2)	−0.13476 (2)	0.02152 (13)
I2	0.23891 (2)	0.22303 (3)	0.99991 (2)	0.02462 (14)
S1	0.36863 (8)	0.18597 (8)	0.38822 (7)	0.0102 (2)
S2	0.77577 (8)	0.20298 (8)	0.46211 (7)	0.0113 (2)
O5	0.7584 (3)	0.2982 (3)	0.3964 (2)	0.0148 (6)
O7	0.5953 (3)	0.4761 (2)	0.3928 (2)	0.0171 (6)
O3	0.4363 (2)	0.0618 (2)	0.1777 (2)	0.0156 (6)
O2	0.3857 (3)	0.0650 (2)	0.4095 (2)	0.0163 (6)
O1	0.3821 (3)	0.2831 (2)	0.4811 (2)	0.0140 (6)
O6	0.6832 (3)	0.4039 (2)	0.6098 (2)	0.0168 (6)
O4	0.7648 (3)	0.0778 (3)	0.4096 (2)	0.0170 (6)
N1	0.4739 (3)	0.2383 (3)	0.3017 (3)	0.0112 (7)
N2	0.6669 (3)	0.1963 (3)	0.5582 (3)	0.0122 (6)
C15	0.9731 (4)	0.3725 (4)	0.5712 (3)	0.0126 (7)
H15	0.926916	0.434422	0.552424	0.015*
C1	0.2180 (3)	0.1746 (3)	0.3169 (3)	0.0125 (7)
C14	0.9236 (4)	0.2471 (3)	0.5399 (3)	0.0116 (7)
C24	0.3720 (4)	0.2426 (4)	0.8768 (3)	0.0164 (8)
C12	0.7210 (4)	0.1779 (4)	−0.0283 (3)	0.0173 (8)
H12	0.743547	0.121332	−0.087657	0.021*
C10	0.7450 (4)	0.3854 (4)	0.0721 (3)	0.0154 (8)
H10	0.784176	0.470125	0.081032	0.019*
C20	0.6363 (3)	0.2989 (3)	0.6239 (3)	0.0120 (7)
C21	0.5443 (3)	0.2734 (3)	0.7113 (3)	0.0115 (7)
C8	0.5987 (4)	0.2195 (4)	0.1336 (3)	0.0124 (8)
C16	1.0901 (4)	0.4050 (4)	0.6297 (3)	0.0151 (8)
H16	1.125122	0.490056	0.651777	0.018*
C7	0.4972 (3)	0.1648 (3)	0.2042 (3)	0.0115 (7)
C19	0.9877 (4)	0.1553 (4)	0.5686 (3)	0.0154 (8)
H19	0.951207	0.070383	0.548274	0.018*
C23	0.4521 (4)	0.3553 (4)	0.8779 (3)	0.0176 (8)
H23	0.448327	0.421848	0.935780	0.021*
C25	0.3778 (4)	0.1433 (4)	0.7931 (3)	0.0148 (8)
H25	0.323712	0.065693	0.792743	0.018*
C11	0.7758 (4)	0.3025 (4)	−0.0153 (3)	0.0155 (8)
C6	0.1536 (4)	0.0613 (4)	0.2665 (3)	0.0186 (8)
H6	0.189454	−0.011585	0.270213	0.022*
C9	0.6569 (4)	0.3438 (4)	0.1463 (3)	0.0152 (8)
H9	0.635821	0.400468	0.206341	0.018*
C22	0.5372 (4)	0.3713 (4)	0.7955 (3)	0.0150 (8)
H22	0.591048	0.449034	0.796067	0.018*
C17	1.1573 (4)	0.3134 (4)	0.6568 (3)	0.0176 (8)
H17	1.239003	0.336432	0.695619	0.021*
C2	0.1678 (4)	0.2839 (4)	0.3122 (3)	0.0194 (8)
H2	0.213500	0.361512	0.347460	0.023*
C26	0.4635 (4)	0.1603 (4)	0.7114 (3)	0.0137 (8)
H26	0.467745	0.093534	0.653865	0.016*
C18	1.1058 (4)	0.1885 (4)	0.6273 (4)	0.0192 (9)
H18	1.151187	0.126474	0.647265	0.023*
C13	0.6336 (4)	0.1376 (4)	0.0459 (3)	0.0162 (8)
H13	0.596126	0.052405	0.037462	0.019*
C4	−0.0152 (4)	0.1618 (5)	0.2050 (4)	0.0301 (11)
H4	−0.095970	0.157034	0.166620	0.036*
C3	0.0513 (5)	0.2767 (5)	0.2559 (4)	0.0297 (11)
H3	0.016110	0.349761	0.251479	0.036*
C5	0.0360 (4)	0.0544 (5)	0.2103 (4)	0.0287 (10)
H5	−0.009541	−0.023486	0.175348	0.034*
H2O7	0.578 (6)	0.543 (3)	0.420 (5)	0.040 (16)*
H1O7	0.643 (4)	0.457 (5)	0.441 (4)	0.026 (14)*
HN2	0.637 (4)	0.127 (3)	0.577 (4)	0.017 (11)*
HN1	0.507 (5)	0.310 (3)	0.315 (5)	0.030 (15)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I1	0.01479 (19)	0.0317 (2)	0.0166 (2)	−0.00216 (12)	0.00650 (12)	0.00403 (13)
I2	0.0180 (2)	0.0412 (2)	0.0176 (2)	0.00979 (14)	0.00791 (13)	0.00722 (14)
S1	0.0087 (4)	0.0085 (4)	0.0127 (5)	−0.0003 (3)	0.0025 (3)	0.0011 (3)
S2	0.0082 (4)	0.0102 (4)	0.0149 (5)	−0.0008 (3)	0.0027 (3)	0.0013 (3)
O5	0.0111 (13)	0.0200 (14)	0.0142 (14)	0.0009 (10)	0.0017 (10)	0.0072 (11)
O7	0.0195 (15)	0.0094 (14)	0.0214 (15)	0.0017 (11)	0.0022 (12)	−0.0003 (11)
O3	0.0157 (13)	0.0102 (13)	0.0189 (14)	−0.0015 (10)	0.0041 (11)	−0.0020 (10)
O2	0.0188 (14)	0.0127 (13)	0.0193 (14)	0.0051 (10)	0.0038 (11)	0.0053 (11)
O1	0.0148 (14)	0.0138 (13)	0.0116 (14)	−0.0010 (10)	0.0021 (11)	−0.0011 (10)
O6	0.0174 (14)	0.0099 (14)	0.0212 (15)	−0.0022 (10)	0.0016 (11)	0.0013 (11)
O4	0.0148 (14)	0.0160 (14)	0.0175 (14)	−0.0010 (10)	0.0057 (11)	−0.0047 (11)
N1	0.0099 (16)	0.0115 (17)	0.0101 (16)	−0.0021 (12)	0.0021 (12)	−0.0012 (13)
N2	0.0104 (15)	0.0081 (16)	0.0185 (17)	0.0000 (12)	0.0048 (12)	0.0043 (13)
C15	0.0119 (18)	0.0126 (19)	0.0138 (19)	0.0015 (14)	0.0044 (14)	0.0035 (15)
C1	0.0090 (18)	0.0163 (19)	0.0113 (18)	−0.0009 (14)	0.0050 (14)	0.0012 (14)
C14	0.0087 (18)	0.0136 (18)	0.0112 (18)	−0.0016 (14)	0.0029 (14)	0.0014 (15)
C24	0.014 (2)	0.027 (2)	0.012 (2)	0.0100 (16)	−0.0006 (15)	0.0041 (16)
C12	0.016 (2)	0.020 (2)	0.0141 (19)	0.0016 (16)	0.0046 (15)	−0.0032 (16)
C10	0.015 (2)	0.016 (2)	0.014 (2)	−0.0032 (15)	0.0059 (15)	0.0028 (15)
C20	0.0074 (17)	0.0136 (19)	0.0149 (19)	0.0012 (14)	−0.0026 (14)	0.0033 (14)
C21	0.0065 (17)	0.0140 (18)	0.0140 (19)	0.0022 (14)	−0.0023 (14)	0.0019 (14)
C8	0.0099 (18)	0.0134 (18)	0.0136 (19)	0.0026 (14)	−0.0015 (14)	0.0004 (15)
C16	0.0136 (19)	0.0151 (19)	0.016 (2)	−0.0016 (15)	0.0029 (15)	0.0044 (15)
C7	0.0085 (17)	0.0123 (19)	0.0131 (19)	0.0029 (14)	−0.0016 (14)	−0.0010 (15)
C19	0.0120 (19)	0.0122 (18)	0.022 (2)	0.0012 (14)	0.0077 (15)	0.0030 (15)
C23	0.016 (2)	0.021 (2)	0.014 (2)	0.0039 (15)	−0.0012 (15)	−0.0030 (15)
C25	0.0134 (19)	0.0140 (19)	0.018 (2)	0.0022 (15)	0.0025 (15)	0.0066 (15)
C11	0.0116 (18)	0.022 (2)	0.0141 (19)	0.0011 (15)	0.0025 (15)	0.0065 (16)
C6	0.015 (2)	0.021 (2)	0.017 (2)	−0.0025 (15)	0.0013 (15)	0.0016 (16)
C9	0.0150 (19)	0.016 (2)	0.0139 (19)	0.0038 (15)	0.0050 (15)	−0.0016 (15)
C22	0.0132 (19)	0.0127 (19)	0.017 (2)	0.0001 (14)	−0.0033 (15)	−0.0005 (15)
C17	0.0081 (18)	0.027 (2)	0.019 (2)	0.0012 (15)	0.0022 (15)	0.0079 (16)
C2	0.019 (2)	0.021 (2)	0.020 (2)	0.0065 (16)	0.0074 (16)	0.0053 (17)
C26	0.0114 (18)	0.0141 (19)	0.016 (2)	0.0041 (14)	0.0030 (15)	0.0016 (15)
C18	0.013 (2)	0.022 (2)	0.024 (2)	0.0056 (16)	0.0046 (16)	0.0071 (17)
C13	0.0110 (18)	0.018 (2)	0.017 (2)	−0.0016 (14)	0.0012 (15)	−0.0022 (15)
C4	0.013 (2)	0.053 (3)	0.023 (2)	0.001 (2)	0.0009 (17)	0.009 (2)
C3	0.023 (2)	0.037 (3)	0.035 (3)	0.014 (2)	0.003 (2)	0.013 (2)
C5	0.017 (2)	0.040 (3)	0.024 (2)	−0.0112 (19)	−0.0010 (18)	0.0030 (19)

Geometric parameters (Å, º)

I1—C11	2.099 (4)	C10—H10	0.9500
I2—C24	2.094 (4)	C20—C21	1.485 (6)
S1—O1	1.428 (3)	C21—C22	1.395 (6)
S1—O2	1.432 (3)	C21—C26	1.396 (6)
S1—N1	1.645 (3)	C8—C9	1.396 (6)
S1—C1	1.766 (4)	C8—C13	1.399 (6)
S2—O4	1.426 (3)	C8—C7	1.497 (6)
S2—O5	1.427 (3)	C16—C17	1.396 (6)
S2—N2	1.666 (3)	C16—H16	0.9500
S2—C14	1.761 (4)	C19—C18	1.388 (6)
O7—H2O7	0.82 (2)	C19—H19	0.9500
O7—H1O7	0.83 (2)	C23—C22	1.376 (6)
O3—C7	1.210 (5)	C23—H23	0.9500
O6—C20	1.220 (5)	C25—C26	1.376 (6)
N1—C7	1.390 (5)	C25—H25	0.9500
N1—HN1	0.81 (3)	C6—C5	1.385 (6)
N2—C20	1.386 (5)	C6—H6	0.9500
N2—HN2	0.84 (3)	C9—H9	0.9500
C15—C16	1.375 (6)	C22—H22	0.9500
C15—C14	1.394 (5)	C17—C18	1.391 (6)
C15—H15	0.9500	C17—H17	0.9500
C1—C6	1.375 (6)	C2—C3	1.375 (7)
C1—C2	1.404 (6)	C2—H2	0.9500
C14—C19	1.383 (5)	C26—H26	0.9500
C24—C23	1.387 (6)	C18—H18	0.9500
C24—C25	1.398 (6)	C13—H13	0.9500
C12—C13	1.376 (6)	C4—C5	1.392 (7)
C12—C11	1.389 (6)	C4—C3	1.397 (7)
C12—H12	0.9500	C4—H4	0.9500
C10—C9	1.384 (6)	C3—H3	0.9500
C10—C11	1.385 (6)	C5—H5	0.9500
O1—S1—O2	118.27 (17)	O3—C7—N1	120.8 (3)
O1—S1—N1	104.13 (17)	O3—C7—C8	122.0 (3)
O2—S1—N1	110.25 (17)	N1—C7—C8	117.2 (3)
O1—S1—C1	109.10 (17)	C14—C19—C18	119.3 (4)
O2—S1—C1	108.84 (17)	C14—C19—H19	120.3
N1—S1—C1	105.46 (17)	C18—C19—H19	120.3
O4—S2—O5	120.03 (17)	C22—C23—C24	120.3 (4)
O4—S2—N2	103.98 (16)	C22—C23—H23	119.9
O5—S2—N2	109.06 (16)	C24—C23—H23	119.9
O4—S2—C14	109.29 (17)	C26—C25—C24	118.7 (4)
O5—S2—C14	108.55 (17)	C26—C25—H25	120.7
N2—S2—C14	104.88 (17)	C24—C25—H25	120.7
H2O7—O7—H1O7	105 (6)	C10—C11—C12	120.9 (4)
C7—N1—S1	121.4 (3)	C10—C11—I1	121.1 (3)
C7—N1—HN1	121 (4)	C12—C11—I1	118.0 (3)
S1—N1—HN1	117 (4)	C1—C6—C5	119.3 (4)
C20—N2—S2	124.3 (3)	C1—C6—H6	120.3
C20—N2—HN2	116 (3)	C5—C6—H6	120.3
S2—N2—HN2	119 (3)	C10—C9—C8	120.6 (4)
C16—C15—C14	118.9 (4)	C10—C9—H9	119.7
C16—C15—H15	120.6	C8—C9—H9	119.7
C14—C15—H15	120.6	C23—C22—C21	120.1 (4)
C6—C1—C2	121.6 (4)	C23—C22—H22	120.0
C6—C1—S1	120.2 (3)	C21—C22—H22	120.0
C2—C1—S1	118.3 (3)	C18—C17—C16	120.6 (4)
C19—C14—C15	121.6 (4)	C18—C17—H17	119.7
C19—C14—S2	118.6 (3)	C16—C17—H17	119.7
C15—C14—S2	119.8 (3)	C3—C2—C1	118.9 (4)
C23—C24—C25	120.5 (4)	C3—C2—H2	120.5
C23—C24—I2	119.4 (3)	C1—C2—H2	120.5
C25—C24—I2	120.0 (3)	C25—C26—C21	121.4 (4)
C13—C12—C11	119.1 (4)	C25—C26—H26	119.3
C13—C12—H12	120.4	C21—C26—H26	119.3
C11—C12—H12	120.4	C19—C18—C17	119.5 (4)
C9—C10—C11	119.5 (4)	C19—C18—H18	120.3
C9—C10—H10	120.2	C17—C18—H18	120.3
C11—C10—H10	120.2	C12—C13—C8	121.3 (4)
O6—C20—N2	121.1 (3)	C12—C13—H13	119.3
O6—C20—C21	122.6 (3)	C8—C13—H13	119.3
N2—C20—C21	116.3 (3)	C5—C4—C3	120.5 (4)
C22—C21—C26	119.1 (4)	C5—C4—H4	119.8
C22—C21—C20	116.8 (3)	C3—C4—H4	119.8
C26—C21—C20	124.1 (3)	C2—C3—C4	119.9 (4)
C9—C8—C13	118.5 (4)	C2—C3—H3	120.0
C9—C8—C7	125.7 (3)	C4—C3—H3	120.0
C13—C8—C7	115.8 (3)	C6—C5—C4	119.8 (4)
C15—C16—C17	120.1 (4)	C6—C5—H5	120.1
C15—C16—H16	119.9	C4—C5—H5	120.1
C17—C16—H16	119.9
O1—S1—N1—C7	174.5 (3)	C15—C14—C19—C18	−1.7 (6)
O2—S1—N1—C7	46.7 (3)	S2—C14—C19—C18	178.3 (3)
C1—S1—N1—C7	−70.6 (3)	C25—C24—C23—C22	1.0 (6)
O4—S2—N2—C20	−174.6 (3)	I2—C24—C23—C22	−177.8 (3)
O5—S2—N2—C20	−45.4 (3)	C23—C24—C25—C26	−0.7 (6)
C14—S2—N2—C20	70.7 (3)	I2—C24—C25—C26	178.0 (3)
O1—S1—C1—C6	−146.8 (3)	C9—C10—C11—C12	−1.1 (6)
O2—S1—C1—C6	−16.4 (4)	C9—C10—C11—I1	176.9 (3)
N1—S1—C1—C6	101.9 (3)	C13—C12—C11—C10	1.0 (6)
O1—S1—C1—C2	34.0 (4)	C13—C12—C11—I1	−177.1 (3)
O2—S1—C1—C2	164.4 (3)	C2—C1—C6—C5	−0.4 (6)
N1—S1—C1—C2	−77.3 (3)	S1—C1—C6—C5	−179.5 (3)
C16—C15—C14—C19	1.5 (6)	C11—C10—C9—C8	−0.2 (6)
C16—C15—C14—S2	−178.5 (3)	C13—C8—C9—C10	1.4 (6)
O4—S2—C14—C19	−18.8 (3)	C7—C8—C9—C10	−176.6 (4)
O5—S2—C14—C19	−151.4 (3)	C24—C23—C22—C21	−0.9 (6)
N2—S2—C14—C19	92.1 (3)	C26—C21—C22—C23	0.6 (5)
O4—S2—C14—C15	161.2 (3)	C20—C21—C22—C23	178.6 (3)
O5—S2—C14—C15	28.6 (4)	C15—C16—C17—C18	−1.5 (6)
N2—S2—C14—C15	−87.8 (3)	C6—C1—C2—C3	0.1 (6)
S2—N2—C20—O6	4.8 (5)	S1—C1—C2—C3	179.2 (3)
S2—N2—C20—C21	−175.2 (2)	C24—C25—C26—C21	0.5 (6)
O6—C20—C21—C22	−15.9 (5)	C22—C21—C26—C25	−0.4 (5)
N2—C20—C21—C22	164.2 (3)	C20—C21—C26—C25	−178.3 (3)
O6—C20—C21—C26	162.1 (3)	C14—C19—C18—C17	0.3 (6)
N2—C20—C21—C26	−17.9 (5)	C16—C17—C18—C19	1.3 (6)
C14—C15—C16—C17	0.1 (6)	C11—C12—C13—C8	0.3 (6)
S1—N1—C7—O3	3.4 (5)	C9—C8—C13—C12	−1.5 (6)
S1—N1—C7—C8	−177.6 (3)	C7—C8—C13—C12	176.7 (3)
C9—C8—C7—O3	167.6 (4)	C1—C2—C3—C4	0.4 (7)
C13—C8—C7—O3	−10.4 (5)	C5—C4—C3—C2	−0.5 (7)
C9—C8—C7—N1	−11.4 (5)	C1—C6—C5—C4	0.3 (6)
C13—C8—C7—N1	170.6 (3)	C3—C4—C5—C6	0.2 (7)

Hydrogen-bond geometry (Å, º)

Cg is the centroid of the iodobenzene ring (C21–C26) of molecule B.

D—H···A	D—H	H···A	D···A	D—H···A
N2—HN2···O2^i	0.84	2.12	2.9271	160
N1—HN1···O7	0.81	2.01	2.7894	163
O7—H2O7···O1^ii	0.82	2.09	2.8507	154
O7—H1O7···O5	0.83	2.32	2.8283	121
O7—H1O7···O6	0.83	2.23	2.9898	152
C9—H9···O7	0.95	2.37	3.2680	158
C18—H18···O4^iii	0.95	2.58	3.429 (5)	149
C26—H26···O2^i	0.95	2.59	3.376 (5)	140
C17—H17···Cg^iv	0.95	2.88	3.7194	148

Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+2, −y, −z+1; (iv) x−1, y, z.