cis-Diaqua-bis-[dimethyl (phenyl-sulfonyl-imino)-phospho-nato]cobalt(II).

In the title diaqua-cobalt complex, [Co(C(8)H(11)NO(5)PS)(2)(H(2)O)(2)], the Co(II) atom is surrounded by six O atoms belonging to the phosphoryl and sulfonyl groups of two deprotonated chelate ligands and two additional O atoms from water mol-ecules which are in cis positions with respect to one another. The coordination environment of cobalt can be described as a distorted octa-hedron. O-H⋯O hydrogen bonds between the water and sulfonyl O atoms of neighboring mol-ecules form chains running parallel to [010]. Two methoxy groups attached to one phosphorus are disordered over two sets of sites in a 0.6:0.4 ratio.

Related literature

For the coordination chemistry of β-diketone derivatives and their structural analogues, see Skopenko et al. (2004 ▶). For details of the pharmacological and biological properties of sulfonyl­amide derivatives, see: Kishino & Saito (1979 ▶); Xu & Angell (2000 ▶). For structural discussion, see: Cremer & Pople (1975 ▶); Zefirov et al. (1990 ▶). For related structures, see: Moroz et al. (2009 ▶); Shatrava et al. (2010 ▶).

Experimental

Crystal data

[Co(C8H11NO5PS)2(H2O)2]

M = 623.38

Triclinic,

a = 9.875 (1) Å

b = 10.207 (1) Å

c = 13.345 (2) Å

α = 91.60 (1)°

β = 110.59 (1)°

γ = 92.84 (1)°

V = 1256.2 (3) Å3

Z = 2

Mo Kα radiation

μ = 1.04 mm−1

T = 294 K

0.40 × 0.20 × 0.10 mm

Data collection

Oxford Diffraction Xcalibur3 diffractometer

Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009 ▶) T min = 0.681, T max = 0.903

9231 measured reflections

5612 independent reflections

4025 reflections with I > 2σ(I)

R int = 0.019

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.066

S = 0.90

5612 reflections

354 parameters

4 restraints

H-atom parameters constrained

Δρmax = 0.34 e Å−3

Δρmin = −0.22 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 ▶); cell refinement: CrysAlis RED (Oxford Diffraction, 2006 ▶); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPIII (Burnett & Johnson, 1996 ▶), ORTEP-3 for Windows (Farrugia, 1997 ▶) and PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811006027/dn2630sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811006027/dn2630Isup2.hkl

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

[Co(C8H11NO5PS)2(H2O)2]	Z = 2
Mr = 623.38	F(000) = 642
Triclinic, P1	Dx = 1.648 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.875 (1) Å	Cell parameters from 4537 reflections
b = 10.207 (1) Å	θ = 3.0–34.8°
c = 13.345 (2) Å	µ = 1.04 mm−1
α = 91.60 (1)°	T = 294 K
β = 110.59 (1)°	Plate, purple
γ = 92.84 (1)°	0.40 × 0.20 × 0.10 mm
V = 1256.2 (3) Å3

Oxford Diffraction Xcalibur3 diffractometer	5612 independent reflections
Radiation source: Enhance (Mo) X-ray Source	4025 reflections with I > 2σ(I)
graphite	Rint = 0.019
Detector resolution: 16.1827 pixels mm-1	θmax = 27.5°, θmin = 3.0°
ω scans	h = −12→12
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009)	k = −13→12
Tmin = 0.681, Tmax = 0.903	l = −17→17
9231 measured reflections

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)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.066	H-atom parameters constrained
S = 0.90	w = 1/[σ2(Fo2) + (0.0363P)2] where P = (Fo2 + 2Fc2)/3
5612 reflections	(Δ/σ)max = 0.001
354 parameters	Δρmax = 0.34 e Å−3
4 restraints	Δρmin = −0.22 e Å−3

Experimental. Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. CrysAlisPRO (Oxford Diffraction, 2009)

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.

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)
Co1	0.53757 (3)	0.25048 (2)	0.49629 (2)	0.02561 (8)
S1	0.52838 (5)	0.13796 (5)	0.26446 (4)	0.02895 (11)
S2	0.76726 (5)	0.37652 (5)	0.72245 (4)	0.02815 (11)
O3	0.64121 (18)	0.39270 (13)	0.43552 (12)	0.0433 (4)
P1	0.68038 (7)	0.38043 (6)	0.33995 (5)	0.04364 (16)
O4	0.5573 (4)	0.4744 (3)	0.2591 (3)	0.0543 (9)	0.60
C7	0.5608 (12)	0.5119 (16)	0.1582 (8)	0.076 (3)	0.60
H7A	0.6552	0.5506	0.1673	0.115*	0.60
H7B	0.4895	0.5747	0.1292	0.115*	0.60
H7C	0.5399	0.4359	0.1100	0.115*	0.60
O5	0.8157 (3)	0.4492 (2)	0.3338 (2)	0.0464 (7)	0.60
C8	0.9520 (11)	0.3888 (12)	0.3764 (11)	0.071 (3)	0.60
H8A	0.9525	0.3375	0.4358	0.106*	0.60
H8B	1.0298	0.4557	0.4001	0.106*	0.60
H8C	0.9643	0.3328	0.3216	0.106*	0.60
O4A	0.6779 (5)	0.4913 (4)	0.2748 (3)	0.0520 (11)	0.40
C7A	0.5421 (13)	0.4968 (18)	0.1864 (11)	0.074 (5)	0.40
H7A1	0.5463	0.5724	0.1462	0.112*	0.40
H7A2	0.4646	0.5029	0.2137	0.112*	0.40
H7A3	0.5253	0.4188	0.1408	0.112*	0.40
O5A	0.8642 (5)	0.3924 (4)	0.4153 (3)	0.0464 (10)	0.40
C8A	0.9676 (14)	0.3964 (12)	0.3623 (13)	0.049 (4)	0.40
H8A1	1.0639	0.4028	0.4147	0.073*	0.40
H8A2	0.9540	0.4714	0.3187	0.073*	0.40
H8A3	0.9543	0.3178	0.3178	0.073*	0.40
P2	0.86187 (6)	0.16991 (5)	0.62440 (4)	0.02887 (12)
O1	0.57367 (17)	0.00623 (13)	0.26086 (12)	0.0414 (4)
O2	0.45315 (15)	0.15860 (13)	0.33970 (10)	0.0321 (3)
O6	0.79818 (17)	0.51694 (13)	0.72756 (12)	0.0384 (3)
O7	0.61859 (15)	0.33380 (13)	0.65460 (11)	0.0341 (3)
O8	0.71640 (15)	0.13434 (12)	0.54199 (11)	0.0334 (3)
O9	0.91160 (17)	0.06168 (14)	0.70876 (12)	0.0436 (4)
O10	0.97392 (16)	0.17385 (15)	0.56604 (12)	0.0413 (4)
O11	0.36115 (15)	0.36550 (13)	0.46253 (11)	0.0370 (3)
H11A	0.3755	0.4409	0.4997	0.055*
H11B	0.3157	0.3944	0.3963	0.055*
O12	0.41962 (15)	0.11126 (12)	0.54596 (11)	0.0331 (3)
H12A	0.4369	0.0941	0.6169	0.050*
H12B	0.3853	0.0377	0.5082	0.050*
N1	0.65693 (18)	0.23960 (16)	0.28018 (13)	0.0342 (4)
N2	0.88326 (18)	0.30347 (16)	0.69393 (13)	0.0335 (4)
C1	0.3978 (2)	0.16127 (18)	0.13660 (16)	0.0307 (4)
C2	0.2605 (3)	0.1922 (3)	0.1249 (2)	0.0519 (6)
H2	0.2330	0.2019	0.1844	0.062*
C3	0.1620 (3)	0.2089 (3)	0.0225 (2)	0.0660 (8)
H3	0.0683	0.2307	0.0137	0.079*
C4	0.2014 (3)	0.1938 (3)	−0.0644 (2)	0.0599 (7)
H4	0.1341	0.2036	−0.1325	0.072*
C5	0.3395 (3)	0.1643 (3)	−0.05244 (19)	0.0561 (7)
H5	0.3667	0.1556	−0.1122	0.067*
C6	0.4385 (3)	0.1473 (2)	0.04848 (17)	0.0458 (6)
H6	0.5324	0.1265	0.0569	0.055*
C10	0.7510 (3)	0.2074 (2)	0.87303 (19)	0.0443 (6)
H10	0.7241	0.1425	0.8181	0.053*
C11	0.7603 (3)	0.1775 (3)	0.9745 (2)	0.0555 (7)
H11	0.7395	0.0915	0.9884	0.067*
C12	0.7996 (3)	0.2720 (3)	1.0556 (2)	0.0576 (7)
H12	0.8043	0.2503	1.1240	0.069*
C13	0.8322 (3)	0.3988 (3)	1.0366 (2)	0.0566 (7)
H13	0.8603	0.4629	1.0922	0.068*
C14	0.8232 (3)	0.4313 (2)	0.93455 (18)	0.0430 (5)
H14	0.8449	0.5173	0.9211	0.052*
C15	0.7821 (2)	0.33569 (19)	0.85348 (16)	0.0306 (4)
C16	1.1267 (3)	0.2070 (3)	0.6236 (2)	0.0603 (7)
H16A	1.1755	0.2187	0.5734	0.090*
H16B	1.1679	0.1373	0.6694	0.090*
H16C	1.1380	0.2869	0.6663	0.090*
C17	0.9315 (3)	−0.0702 (2)	0.6758 (2)	0.0691 (9)
H17A	0.9856	−0.1161	0.7377	0.104*
H17B	0.9836	−0.0660	0.6272	0.104*
H17C	0.8386	−0.1159	0.6408	0.104*

	U11	U22	U33	U12	U13	U23
Co1	0.02756 (15)	0.02457 (13)	0.02328 (14)	0.00186 (11)	0.00724 (11)	0.00077 (10)
S1	0.0328 (3)	0.0307 (2)	0.0227 (3)	0.0018 (2)	0.0091 (2)	0.00059 (19)
S2	0.0289 (3)	0.0294 (2)	0.0243 (3)	0.0013 (2)	0.0073 (2)	−0.00163 (19)
O3	0.0625 (11)	0.0311 (7)	0.0414 (9)	−0.0096 (7)	0.0267 (8)	−0.0037 (7)
P1	0.0558 (4)	0.0341 (3)	0.0529 (4)	−0.0083 (3)	0.0358 (3)	−0.0035 (3)
O4	0.060 (2)	0.056 (2)	0.064 (2)	0.0239 (17)	0.037 (2)	0.0253 (17)
C7	0.068 (6)	0.091 (7)	0.079 (4)	0.022 (4)	0.031 (4)	0.053 (4)
O5	0.0392 (16)	0.0383 (14)	0.065 (2)	−0.0020 (12)	0.0234 (15)	0.0073 (14)
C8	0.039 (5)	0.106 (7)	0.070 (5)	0.006 (4)	0.021 (4)	0.021 (5)
O4A	0.055 (3)	0.049 (2)	0.054 (3)	−0.001 (2)	0.020 (2)	0.023 (2)
C7A	0.053 (6)	0.050 (6)	0.128 (15)	0.026 (5)	0.036 (9)	0.041 (10)
O5A	0.035 (2)	0.060 (3)	0.039 (2)	−0.011 (2)	0.010 (2)	−0.001 (2)
C8A	0.038 (6)	0.037 (5)	0.068 (8)	0.004 (4)	0.015 (5)	−0.008 (5)
P2	0.0269 (3)	0.0333 (3)	0.0255 (3)	0.0058 (2)	0.0078 (2)	0.0002 (2)
O1	0.0565 (10)	0.0318 (7)	0.0353 (9)	0.0095 (7)	0.0145 (8)	0.0011 (6)
O2	0.0348 (8)	0.0376 (7)	0.0238 (7)	−0.0052 (6)	0.0114 (6)	−0.0013 (6)
O6	0.0481 (9)	0.0289 (7)	0.0368 (8)	0.0012 (7)	0.0133 (7)	0.0019 (6)
O7	0.0268 (7)	0.0443 (8)	0.0274 (8)	0.0051 (6)	0.0053 (6)	−0.0071 (6)
O8	0.0301 (8)	0.0314 (7)	0.0341 (8)	0.0049 (6)	0.0054 (6)	−0.0053 (6)
O9	0.0526 (10)	0.0425 (8)	0.0331 (9)	0.0143 (8)	0.0102 (7)	0.0074 (7)
O10	0.0357 (9)	0.0571 (9)	0.0342 (8)	0.0069 (7)	0.0160 (7)	−0.0029 (7)
O11	0.0401 (8)	0.0308 (7)	0.0352 (8)	0.0111 (6)	0.0060 (7)	0.0028 (6)
O12	0.0417 (8)	0.0279 (7)	0.0293 (8)	−0.0029 (6)	0.0129 (7)	0.0008 (6)
N1	0.0315 (10)	0.0422 (9)	0.0309 (10)	−0.0012 (8)	0.0142 (8)	−0.0016 (8)
N2	0.0262 (9)	0.0410 (9)	0.0329 (10)	0.0008 (8)	0.0107 (8)	−0.0070 (8)
C1	0.0349 (12)	0.0289 (10)	0.0255 (10)	−0.0011 (9)	0.0077 (9)	−0.0002 (8)
C2	0.0427 (14)	0.0752 (17)	0.0370 (14)	0.0124 (13)	0.0124 (11)	−0.0053 (12)
C3	0.0429 (15)	0.093 (2)	0.0497 (16)	0.0200 (15)	0.0000 (13)	−0.0050 (15)
C4	0.070 (2)	0.0619 (16)	0.0316 (14)	0.0069 (15)	−0.0022 (13)	0.0015 (12)
C5	0.0713 (19)	0.0683 (16)	0.0274 (13)	−0.0002 (15)	0.0165 (13)	0.0006 (12)
C6	0.0444 (14)	0.0629 (14)	0.0303 (12)	0.0001 (12)	0.0140 (11)	−0.0003 (11)
C10	0.0556 (15)	0.0395 (12)	0.0403 (14)	−0.0070 (11)	0.0218 (12)	−0.0029 (10)
C11	0.0700 (18)	0.0553 (15)	0.0483 (16)	−0.0082 (14)	0.0309 (14)	0.0101 (13)
C12	0.0610 (18)	0.0813 (19)	0.0353 (14)	−0.0014 (15)	0.0235 (13)	0.0094 (14)
C13	0.0611 (17)	0.0721 (17)	0.0324 (13)	−0.0076 (14)	0.0142 (12)	−0.0139 (12)
C14	0.0498 (14)	0.0428 (12)	0.0333 (12)	−0.0065 (11)	0.0126 (11)	−0.0065 (10)
C15	0.0260 (10)	0.0380 (11)	0.0267 (11)	0.0014 (9)	0.0081 (9)	0.0000 (9)
C16	0.0355 (14)	0.087 (2)	0.0619 (18)	0.0025 (14)	0.0220 (13)	−0.0037 (15)
C17	0.085 (2)	0.0417 (14)	0.075 (2)	0.0230 (14)	0.0182 (17)	0.0126 (14)

Co1—O12	2.0608 (13)	P2—O10	1.5607 (16)
Co1—O11	2.0729 (13)	P2—O9	1.5695 (15)
Co1—O3	2.0771 (14)	P2—N2	1.5897 (17)
Co1—O8	2.0942 (13)	O9—C17	1.448 (3)
Co1—O7	2.1143 (14)	O10—C16	1.450 (3)
Co1—O2	2.1282 (14)	O11—H11A	0.8808
S1—O1	1.4427 (14)	O11—H11B	0.9049
S1—O2	1.4604 (14)	O12—H12A	0.9239
S1—N1	1.5497 (18)	O12—H12B	0.8753
S1—C1	1.771 (2)	C1—C2	1.363 (3)
S2—O6	1.4452 (14)	C1—C6	1.376 (3)
S2—O7	1.4646 (14)	C2—C3	1.392 (3)
S2—N2	1.5454 (17)	C2—H2	0.9300
S2—C15	1.766 (2)	C3—C4	1.353 (4)
O3—P1	1.4610 (16)	C3—H3	0.9300
P1—O4A	1.442 (4)	C4—C5	1.367 (4)
P1—O5	1.508 (3)	C4—H4	0.9300
P1—N1	1.5903 (18)	C5—C6	1.380 (3)
P1—O4	1.677 (4)	C5—H5	0.9300
P1—O5A	1.735 (4)	C6—H6	0.9300
O4—C7	1.422 (7)	C10—C11	1.369 (3)
C7—H7A	0.9600	C10—C15	1.383 (3)
C7—H7B	0.9600	C10—H10	0.9300
C7—H7C	0.9600	C11—C12	1.365 (4)
O5—C8	1.442 (8)	C11—H11	0.9300
C8—H8A	0.9600	C12—C13	1.370 (4)
C8—H8B	0.9600	C12—H12	0.9300
C8—H8C	0.9600	C13—C14	1.384 (3)
O4A—C7A	1.446 (9)	C13—H13	0.9300
C7A—H7A1	0.9600	C14—C15	1.371 (3)
C7A—H7A2	0.9600	C14—H14	0.9300
C7A—H7A3	0.9600	C16—H16A	0.9600
O5A—C8A	1.432 (10)	C16—H16B	0.9600
C8A—H8A1	0.9600	C16—H16C	0.9600
C8A—H8A2	0.9600	C17—H17A	0.9600
C8A—H8A3	0.9600	C17—H17B	0.9600
P2—O8	1.4899 (14)	C17—H17C	0.9600
O12—Co1—O11	87.46 (6)	H8A1—C8A—H8A3	109.5
O12—Co1—O3	175.32 (6)	H8A2—C8A—H8A3	109.5
O11—Co1—O3	89.17 (6)	O8—P2—O10	107.45 (8)
O12—Co1—O8	90.37 (5)	O8—P2—O9	112.00 (9)
O11—Co1—O8	175.81 (6)	O10—P2—O9	105.32 (8)
O3—Co1—O8	93.20 (6)	O8—P2—N2	118.12 (8)
O12—Co1—O7	88.52 (6)	O10—P2—N2	108.42 (9)
O11—Co1—O7	89.44 (5)	O9—P2—N2	104.80 (9)
O3—Co1—O7	94.69 (6)	S1—O2—Co1	128.04 (8)
O8—Co1—O7	86.92 (5)	S2—O7—Co1	129.91 (9)
O12—Co1—O2	88.98 (5)	P2—O8—Co1	126.80 (8)
O11—Co1—O2	91.24 (6)	C17—O9—P2	120.67 (16)
O3—Co1—O2	87.86 (6)	C16—O10—P2	121.54 (14)
O8—Co1—O2	92.30 (5)	Co1—O11—H11A	116.3
O7—Co1—O2	177.37 (5)	Co1—O11—H11B	122.1
O1—S1—O2	113.80 (9)	H11A—O11—H11B	98.9
O1—S1—N1	110.36 (10)	Co1—O12—H12A	124.1
O2—S1—N1	113.78 (9)	Co1—O12—H12B	121.0
O1—S1—C1	106.44 (9)	H12A—O12—H12B	107.1
O2—S1—C1	105.01 (9)	S1—N1—P1	125.91 (11)
N1—S1—C1	106.78 (9)	S2—N2—P2	127.90 (11)
O6—S2—O7	113.82 (9)	C2—C1—C6	120.5 (2)
O6—S2—N2	110.57 (9)	C2—C1—S1	121.42 (17)
O7—S2—N2	113.34 (9)	C6—C1—S1	118.12 (17)
O6—S2—C15	105.87 (9)	C1—C2—C3	119.0 (2)
O7—S2—C15	105.32 (9)	C1—C2—H2	120.5
N2—S2—C15	107.28 (9)	C3—C2—H2	120.5
P1—O3—Co1	127.44 (9)	C4—C3—C2	120.6 (3)
O4A—P1—O3	120.9 (2)	C4—C3—H3	119.7
O4A—P1—O5	56.9 (2)	C2—C3—H3	119.7
O3—P1—O5	121.88 (14)	C3—C4—C5	120.3 (2)
O4A—P1—N1	115.9 (2)	C3—C4—H4	119.8
O3—P1—N1	117.82 (9)	C5—C4—H4	119.8
O5—P1—N1	108.73 (12)	C4—C5—C6	119.8 (2)
O4A—P1—O4	41.9 (2)	C4—C5—H5	120.1
O3—P1—O4	99.20 (13)	C6—C5—H5	120.1
O5—P1—O4	98.84 (17)	C1—C6—C5	119.7 (2)
N1—P1—O4	106.62 (15)	C1—C6—H6	120.1
O4A—P1—O5A	98.0 (2)	C5—C6—H6	120.1
O3—P1—O5A	92.25 (16)	C11—C10—C15	118.9 (2)
O5—P1—O5A	42.78 (16)	C11—C10—H10	120.5
N1—P1—O5A	103.27 (16)	C15—C10—H10	120.5
O4—P1—O5A	137.9 (2)	C12—C11—C10	121.0 (2)
C7—O4—P1	122.6 (6)	C12—C11—H11	119.5
O4—C7—H7A	109.5	C10—C11—H11	119.5
O4—C7—H7B	109.5	C11—C12—C13	120.1 (2)
H7A—C7—H7B	109.5	C11—C12—H12	119.9
O4—C7—H7C	109.5	C13—C12—H12	119.9
H7A—C7—H7C	109.5	C12—C13—C14	119.9 (2)
H7B—C7—H7C	109.5	C12—C13—H13	120.1
C8—O5—P1	119.5 (5)	C14—C13—H13	120.1
O5—C8—H8A	109.5	C15—C14—C13	119.4 (2)
O5—C8—H8B	109.5	C15—C14—H14	120.3
H8A—C8—H8B	109.5	C13—C14—H14	120.3
O5—C8—H8C	109.5	C14—C15—C10	120.66 (19)
H8A—C8—H8C	109.5	C14—C15—S2	119.84 (16)
H8B—C8—H8C	109.5	C10—C15—S2	119.49 (16)
P1—O4A—C7A	113.0 (7)	O10—C16—H16A	109.5
O4A—C7A—H7A1	109.5	O10—C16—H16B	109.5
O4A—C7A—H7A2	109.5	H16A—C16—H16B	109.5
H7A1—C7A—H7A2	109.5	O10—C16—H16C	109.5
O4A—C7A—H7A3	109.5	H16A—C16—H16C	109.5
H7A1—C7A—H7A3	109.5	H16B—C16—H16C	109.5
H7A2—C7A—H7A3	109.5	O9—C17—H17A	109.5
C8A—O5A—P1	119.7 (7)	O9—C17—H17B	109.5
O5A—C8A—H8A1	109.5	H17A—C17—H17B	109.5
O5A—C8A—H8A2	109.5	O9—C17—H17C	109.5
H8A1—C8A—H8A2	109.5	H17A—C17—H17C	109.5
O5A—C8A—H8A3	109.5	H17B—C17—H17C	109.5

D—H···A	D—H	H···A	D···A	D—H···A
O11—H11A···O3i	0.88	1.93	2.7898 (19)	167
O11—H11B···O6i	0.90	1.92	2.811 (2)	167
O12—H12A···O1ii	0.92	1.98	2.855 (2)	157
O12—H12B···O8ii	0.88	1.96	2.8035 (18)	163

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O11—H11A⋯O3i	0.88	1.93	2.7898 (19)	167
O11—H11B⋯O6i	0.90	1.92	2.811 (2)	167
O12—H12A⋯O1ii	0.92	1.98	2.855 (2)	157
O12—H12B⋯O8ii	0.88	1.96	2.8035 (18)	163

Symmetry codes: (i) ; (ii) .