N-[3-(4-Fluoro-benz-yl)-2,4-dioxo-1,3-diaza-spiro-[4.5]dec-8-yl]-2-methyl-benzene-sulfonamide.

In the title compound, C(22)H(24)FN(3)O(4)S, the cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation of 0.040 (2) Å. The dihedral angles between the five-membered ring and the tolyl and fluoro-benzene rings are 56.74 (12) and 89.88 (12)°, respectively. The two terminal benzene rings make a dihedral angle of 63.53 (12)°. The crystal structure displays inter-molecular C-H⋯O and N-H⋯O hydrogen bonds. An intra-molecular C-H⋯O hydrogen bond also occurs.

Related literature

For the biological activity of related compounds, see: Cartwright et al. (2007 ▶); Collins (2000 ▶); Warshakoon et al. (2006 ▶) and for their pharmaceutical activity, see: Kiselyov et al. (2006 ▶); Sakthivel & Cook (2005 ▶); Eldrup et al. (2004 ▶); Bamford et al. (2005) ▶; Puerstinger et al. (2006 ▶).

Experimental

Crystal data

C22H24FN3O4S

M = 445.50

Monoclinic,

a = 5.8314 (3) Å

b = 26.3603 (11) Å

c = 13.8558 (7) Å

β = 98.623 (5)°

V = 2105.80 (18) Å3

Z = 4

Mo Kα radiation

μ = 0.20 mm−1

T = 293 K

0.20 × 0.15 × 0.12 mm

Data collection

Oxford Diffraction Xcalibur diffractometer

Absorption correction: multi-scan (CrysAlis PRO RED; Oxford Diffraction, 2010 ▶) T min = 0.771, T max = 1.000

23208 measured reflections

3693 independent reflections

3034 reflections with I > 2σ(I)

R int = 0.044

Refinement

R[F 2 > 2σ(F 2)] = 0.043

wR(F 2) = 0.114

S = 1.06

3693 reflections

280 parameters

H-atom parameters constrained

Δρmax = 0.46 e Å−3

Δρmin = −0.43 e Å−3

Data collection: CrysAlis PRO CCD (Oxford Diffraction, 2010 ▶); cell refinement: CrysAlis PRO CCD; data reduction: CrysAlis PRO RED (Oxford Diffraction, 2010 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and CAMERON (Watkin et al., 1993 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681105269X/wn2460sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681105269X/wn2460Isup2.hkl

Supplementary material file. DOI: 10.1107/S160053681105269X/wn2460Isup3.cml

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

C22H24FN3O4S	F(000) = 936
Mr = 445.50	Dx = 1.405 Mg m−3
Monoclinic, P21/c	Melting point: 425 K
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71073 Å
a = 5.8314 (3) Å	Cell parameters from 3693 reflections
b = 26.3603 (11) Å	θ = 2.8–25.0°
c = 13.8558 (7) Å	µ = 0.20 mm−1
β = 98.623 (5)°	T = 293 K
V = 2105.80 (18) Å3	Prism, colourless
Z = 4	0.20 × 0.15 × 0.12 mm

Oxford Diffraction Xcalibur diffractometer	3693 independent reflections
Radiation source: fine-focus sealed tube	3034 reflections with I > 2σ(I)
graphite	Rint = 0.044
Detector resolution: 15.9821 pixels mm-1	θmax = 25.0°, θmin = 2.8°
ω scans	h = −6→6
Absorption correction: multi-scan (CrysAlis PRO RED; Oxford Diffraction, 2010)	k = −31→31
Tmin = 0.771, Tmax = 1.000	l = −16→16
23208 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)] = 0.043	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.114	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.0528P)2 + 1.3845P] where P = (Fo2 + 2Fc2)/3
3693 reflections	(Δ/σ)max = 0.001
280 parameters	Δρmax = 0.46 e Å−3
0 restraints	Δρmin = −0.43 e Å−3

Experimental. CrysAlis PRO, Oxford Diffraction Ltd., Version 1.171.33.55 (release 05–01–2010 CrysAlis171. NET) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.Colourless solid; Yield: 98 mg, 64%; mp:425 K; IR cm-1 (KBr) 3355 (N—H), 1652, 1344 (S=O); Anal.Calcd for C22H24FN3O4S: C, 59.31; H, 5.43; N, 9.43%, Found, C, 58.75; H, 5.39; N, 9.11%.

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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	0.25585 (10)	0.57039 (2)	0.03784 (4)	0.03284 (17)
F2	0.6870 (4)	0.79980 (6)	0.74198 (16)	0.0846 (6)
O3	−0.0805 (3)	0.64828 (7)	0.51242 (13)	0.0477 (5)
O4	0.4811 (3)	0.53253 (6)	0.61681 (12)	0.0437 (4)
O5	0.4857 (3)	0.58150 (7)	0.08365 (12)	0.0435 (4)
O6	0.2245 (3)	0.53545 (6)	−0.04209 (12)	0.0439 (4)
N7	0.2751 (3)	0.54833 (7)	0.46471 (13)	0.0342 (4)
H7	0.3265	0.5239	0.4328	0.041*
N8	0.1988 (3)	0.59465 (7)	0.58837 (13)	0.0320 (4)
N9	0.1103 (3)	0.54742 (7)	0.11805 (13)	0.0342 (4)
H9	0.0578	0.5170	0.1098	0.041*
C10	0.5716 (5)	0.75487 (9)	0.7276 (2)	0.0512 (7)
C11	0.6523 (5)	0.71902 (10)	0.6701 (2)	0.0474 (6)
H11	0.7829	0.7251	0.6406	0.057*
C12	0.5351 (4)	0.67352 (9)	0.65691 (17)	0.0396 (6)
H12	0.5881	0.6486	0.6182	0.048*
C13	0.3403 (4)	0.66429 (8)	0.70011 (15)	0.0315 (5)
C14	0.2645 (4)	0.70179 (9)	0.75752 (17)	0.0407 (6)
H14	0.1335	0.6962	0.7869	0.049*
C15	0.3800 (5)	0.74727 (10)	0.7718 (2)	0.0509 (7)
H15	0.3289	0.7723	0.8107	0.061*
C16	0.2155 (4)	0.61414 (9)	0.68760 (16)	0.0369 (5)
H16A	0.2971	0.5897	0.7325	0.044*
H16B	0.0606	0.6182	0.7040	0.044*
C17	0.3364 (4)	0.55541 (8)	0.56046 (16)	0.0312 (5)
C18	0.1119 (3)	0.58646 (8)	0.41997 (15)	0.0267 (4)
C19	0.0576 (4)	0.61430 (8)	0.50965 (16)	0.0309 (5)
C20	−0.1057 (4)	0.56436 (9)	0.36050 (17)	0.0368 (5)
H20A	−0.2186	0.5912	0.3442	0.044*
H20B	−0.1728	0.5395	0.3998	0.044*
C21	−0.0561 (4)	0.53917 (9)	0.26671 (16)	0.0347 (5)
H21A	0.0427	0.5098	0.2830	0.042*
H21B	−0.2005	0.5275	0.2294	0.042*
C22	0.0622 (4)	0.57566 (8)	0.20473 (15)	0.0293 (5)
H22	−0.0443	0.6036	0.1835	0.035*
C23	0.2805 (4)	0.59716 (9)	0.26402 (16)	0.0335 (5)
H23A	0.3504	0.6215	0.2248	0.040*
H23B	0.3912	0.5700	0.2815	0.040*
C24	0.2269 (4)	0.62287 (8)	0.35617 (15)	0.0322 (5)
H24A	0.1248	0.6515	0.3384	0.039*
H24B	0.3696	0.6357	0.3931	0.039*
C25	0.1245 (4)	0.62927 (8)	0.00021 (15)	0.0316 (5)
C26	−0.0956 (4)	0.63160 (9)	−0.05589 (16)	0.0350 (5)
C27	−0.1911 (5)	0.67963 (10)	−0.07325 (18)	0.0448 (6)
H27	−0.3385	0.6825	−0.1093	0.054*
C28	−0.0752 (5)	0.72314 (10)	−0.03893 (19)	0.0517 (7)
H28	−0.1452	0.7546	−0.0516	0.062*
C29	0.1422 (5)	0.72009 (10)	0.01356 (19)	0.0523 (7)
H29	0.2219	0.7494	0.0357	0.063*
C30	0.2426 (5)	0.67305 (9)	0.03346 (17)	0.0418 (6)
H30	0.3904	0.6707	0.0694	0.050*
C31	−0.2300 (4)	0.58652 (10)	−0.0997 (2)	0.0476 (6)
H31A	−0.1433	0.5561	−0.0817	0.071*
H31B	−0.2565	0.5897	−0.1695	0.071*
H31C	−0.3761	0.5849	−0.0759	0.071*

	U11	U22	U33	U12	U13	U23
S1	0.0350 (3)	0.0353 (3)	0.0273 (3)	0.0006 (2)	0.0020 (2)	−0.0056 (2)
F2	0.0989 (15)	0.0430 (9)	0.1017 (15)	−0.0217 (9)	−0.0184 (12)	0.0032 (10)
O3	0.0504 (10)	0.0498 (10)	0.0435 (10)	0.0222 (9)	0.0094 (8)	−0.0031 (8)
O4	0.0563 (11)	0.0373 (9)	0.0333 (9)	0.0142 (8)	−0.0068 (8)	−0.0005 (7)
O5	0.0328 (9)	0.0554 (10)	0.0404 (9)	0.0026 (8)	−0.0009 (7)	−0.0069 (8)
O6	0.0513 (10)	0.0443 (10)	0.0363 (9)	0.0004 (8)	0.0074 (8)	−0.0140 (8)
N7	0.0474 (12)	0.0268 (9)	0.0269 (9)	0.0127 (8)	0.0007 (8)	−0.0041 (8)
N8	0.0391 (11)	0.0300 (9)	0.0267 (9)	0.0038 (8)	0.0045 (8)	−0.0027 (8)
N9	0.0451 (11)	0.0272 (9)	0.0289 (10)	−0.0047 (8)	0.0013 (8)	−0.0027 (8)
C10	0.0607 (18)	0.0321 (13)	0.0532 (16)	−0.0021 (12)	−0.0164 (14)	0.0063 (12)
C11	0.0402 (14)	0.0541 (16)	0.0460 (15)	−0.0047 (12)	−0.0002 (11)	0.0069 (13)
C12	0.0404 (13)	0.0448 (14)	0.0347 (12)	0.0041 (11)	0.0091 (10)	−0.0055 (11)
C13	0.0348 (12)	0.0347 (12)	0.0240 (10)	0.0071 (9)	0.0014 (9)	−0.0026 (9)
C14	0.0397 (13)	0.0448 (14)	0.0371 (13)	0.0119 (11)	0.0043 (11)	−0.0068 (11)
C15	0.0618 (18)	0.0360 (14)	0.0508 (16)	0.0161 (12)	−0.0048 (14)	−0.0124 (12)
C16	0.0459 (14)	0.0399 (13)	0.0261 (11)	0.0004 (10)	0.0094 (10)	−0.0034 (10)
C17	0.0399 (13)	0.0227 (10)	0.0300 (11)	0.0024 (9)	0.0020 (10)	0.0003 (9)
C18	0.0282 (11)	0.0240 (10)	0.0272 (11)	0.0029 (8)	0.0016 (9)	−0.0003 (9)
C19	0.0320 (12)	0.0296 (11)	0.0317 (12)	0.0002 (9)	0.0067 (9)	0.0000 (9)
C20	0.0323 (12)	0.0442 (13)	0.0343 (12)	−0.0093 (10)	0.0059 (10)	−0.0010 (10)
C21	0.0322 (12)	0.0368 (12)	0.0333 (12)	−0.0101 (10)	−0.0011 (9)	−0.0042 (10)
C22	0.0329 (12)	0.0281 (11)	0.0248 (11)	0.0012 (9)	−0.0023 (9)	−0.0020 (9)
C23	0.0356 (12)	0.0358 (12)	0.0292 (11)	−0.0105 (10)	0.0047 (9)	−0.0024 (10)
C24	0.0386 (12)	0.0277 (11)	0.0296 (11)	−0.0071 (9)	0.0022 (10)	−0.0020 (9)
C25	0.0395 (13)	0.0344 (12)	0.0214 (10)	−0.0026 (10)	0.0064 (9)	−0.0016 (9)
C26	0.0389 (13)	0.0413 (13)	0.0249 (11)	−0.0021 (10)	0.0054 (10)	0.0034 (10)
C27	0.0470 (15)	0.0514 (15)	0.0348 (13)	0.0073 (12)	0.0018 (11)	0.0068 (12)
C28	0.077 (2)	0.0395 (14)	0.0373 (14)	0.0141 (14)	0.0059 (14)	0.0038 (12)
C29	0.080 (2)	0.0354 (14)	0.0393 (14)	−0.0076 (13)	0.0014 (14)	−0.0058 (11)
C30	0.0506 (15)	0.0419 (14)	0.0307 (12)	−0.0073 (11)	−0.0008 (11)	−0.0038 (11)
C31	0.0400 (14)	0.0532 (15)	0.0462 (15)	−0.0072 (12)	−0.0047 (11)	0.0029 (12)

S1—O5	1.4248 (17)	C18—C20	1.522 (3)
S1—O6	1.4310 (16)	C18—C24	1.526 (3)
S1—N9	1.6141 (19)	C20—C21	1.525 (3)
S1—C25	1.774 (2)	C20—H20A	0.9700
F2—C10	1.362 (3)	C20—H20B	0.9700
O3—C19	1.209 (3)	C21—C22	1.522 (3)
O4—C17	1.219 (3)	C21—H21A	0.9700
N7—C17	1.334 (3)	C21—H21B	0.9700
N7—C18	1.457 (3)	C22—C23	1.518 (3)
N7—H7	0.8600	C22—H22	0.9800
N8—C19	1.366 (3)	C23—C24	1.519 (3)
N8—C17	1.399 (3)	C23—H23A	0.9700
N8—C16	1.457 (3)	C23—H23B	0.9700
N9—C22	1.475 (3)	C24—H24A	0.9700
N9—H9	0.8600	C24—H24B	0.9700
C10—C11	1.364 (4)	C25—C30	1.387 (3)
C10—C15	1.367 (4)	C25—C26	1.399 (3)
C11—C12	1.379 (4)	C26—C27	1.390 (3)
C11—H11	0.9300	C26—C31	1.501 (3)
C12—C13	1.383 (3)	C27—C28	1.379 (4)
C12—H12	0.9300	C27—H27	0.9300
C13—C14	1.382 (3)	C28—C29	1.366 (4)
C13—C16	1.507 (3)	C28—H28	0.9300
C14—C15	1.375 (4)	C29—C30	1.381 (4)
C14—H14	0.9300	C29—H29	0.9300
C15—H15	0.9300	C30—H30	0.9300
C16—H16A	0.9700	C31—H31A	0.9600
C16—H16B	0.9700	C31—H31B	0.9600
C18—C19	1.517 (3)	C31—H31C	0.9600
O5—S1—O6	118.65 (10)	C21—C20—H20A	109.2
O5—S1—N9	109.09 (10)	C18—C20—H20B	109.2
O6—S1—N9	105.79 (10)	C21—C20—H20B	109.2
O5—S1—C25	106.68 (11)	H20A—C20—H20B	107.9
O6—S1—C25	109.65 (10)	C22—C21—C20	111.44 (18)
N9—S1—C25	106.39 (10)	C22—C21—H21A	109.3
C17—N7—C18	112.76 (17)	C20—C21—H21A	109.3
C17—N7—H7	123.6	C22—C21—H21B	109.3
C18—N7—H7	123.6	C20—C21—H21B	109.3
C19—N8—C17	111.21 (18)	H21A—C21—H21B	108.0
C19—N8—C16	124.50 (18)	N9—C22—C23	112.51 (18)
C17—N8—C16	124.18 (18)	N9—C22—C21	107.33 (17)
C22—N9—S1	123.70 (15)	C23—C22—C21	110.18 (17)
C22—N9—H9	118.1	N9—C22—H22	108.9
S1—N9—H9	118.1	C23—C22—H22	108.9
F2—C10—C11	118.8 (3)	C21—C22—H22	108.9
F2—C10—C15	118.7 (3)	C22—C23—C24	111.09 (18)
C11—C10—C15	122.5 (2)	C22—C23—H23A	109.4
C10—C11—C12	118.2 (3)	C24—C23—H23A	109.4
C10—C11—H11	120.9	C22—C23—H23B	109.4
C12—C11—H11	120.9	C24—C23—H23B	109.4
C11—C12—C13	121.2 (2)	H23A—C23—H23B	108.0
C11—C12—H12	119.4	C23—C24—C18	111.72 (17)
C13—C12—H12	119.4	C23—C24—H24A	109.3
C14—C13—C12	118.5 (2)	C18—C24—H24A	109.3
C14—C13—C16	120.2 (2)	C23—C24—H24B	109.3
C12—C13—C16	121.2 (2)	C18—C24—H24B	109.3
C15—C14—C13	121.0 (2)	H24A—C24—H24B	107.9
C15—C14—H14	119.5	C30—C25—C26	121.1 (2)
C13—C14—H14	119.5	C30—C25—S1	117.35 (18)
C10—C15—C14	118.6 (2)	C26—C25—S1	121.43 (17)
C10—C15—H15	120.7	C27—C26—C25	116.5 (2)
C14—C15—H15	120.7	C27—C26—C31	118.7 (2)
N8—C16—C13	112.37 (18)	C25—C26—C31	124.7 (2)
N8—C16—H16A	109.1	C28—C27—C26	122.3 (2)
C13—C16—H16A	109.1	C28—C27—H27	118.8
N8—C16—H16B	109.1	C26—C27—H27	118.8
C13—C16—H16B	109.1	C29—C28—C27	120.2 (2)
H16A—C16—H16B	107.9	C29—C28—H28	119.9
O4—C17—N7	128.6 (2)	C27—C28—H28	119.9
O4—C17—N8	124.0 (2)	C28—C29—C30	119.4 (2)
N7—C17—N8	107.40 (18)	C28—C29—H29	120.3
N7—C18—C19	100.86 (16)	C30—C29—H29	120.3
N7—C18—C20	113.88 (18)	C29—C30—C25	120.4 (2)
C19—C18—C20	111.67 (17)	C29—C30—H30	119.8
N7—C18—C24	111.37 (18)	C25—C30—H30	119.8
C19—C18—C24	109.52 (17)	C26—C31—H31A	109.5
C20—C18—C24	109.28 (17)	C26—C31—H31B	109.5
O3—C19—N8	125.5 (2)	H31A—C31—H31B	109.5
O3—C19—C18	127.3 (2)	C26—C31—H31C	109.5
N8—C19—C18	107.20 (17)	H31A—C31—H31C	109.5
C18—C20—C21	112.24 (18)	H31B—C31—H31C	109.5
C18—C20—H20A	109.2
O5—S1—N9—C22	62.17 (19)	C20—C18—C19—N8	126.81 (19)
O6—S1—N9—C22	−169.14 (16)	C24—C18—C19—N8	−112.00 (19)
C25—S1—N9—C22	−52.56 (19)	N7—C18—C20—C21	−70.2 (2)
F2—C10—C11—C12	179.4 (2)	C19—C18—C20—C21	176.36 (18)
C15—C10—C11—C12	−0.2 (4)	C24—C18—C20—C21	55.0 (2)
C10—C11—C12—C13	0.3 (4)	C18—C20—C21—C22	−55.6 (3)
C11—C12—C13—C14	−0.2 (4)	S1—N9—C22—C23	−52.8 (2)
C11—C12—C13—C16	−178.6 (2)	S1—N9—C22—C21	−174.14 (15)
C12—C13—C14—C15	−0.1 (3)	C20—C21—C22—N9	178.00 (17)
C16—C13—C14—C15	178.3 (2)	C20—C21—C22—C23	55.2 (2)
F2—C10—C15—C14	−179.7 (2)	N9—C22—C23—C24	−176.14 (17)
C11—C10—C15—C14	−0.1 (4)	C21—C22—C23—C24	−56.4 (2)
C13—C14—C15—C10	0.3 (4)	C22—C23—C24—C18	57.9 (2)
C19—N8—C16—C13	−72.2 (3)	N7—C18—C24—C23	70.5 (2)
C17—N8—C16—C13	103.6 (2)	C19—C18—C24—C23	−178.80 (18)
C14—C13—C16—N8	141.1 (2)	C20—C18—C24—C23	−56.2 (2)
C12—C13—C16—N8	−40.5 (3)	O5—S1—C25—C30	−10.0 (2)
C18—N7—C17—O4	−174.2 (2)	O6—S1—C25—C30	−139.68 (18)
C18—N7—C17—N8	7.0 (3)	N9—S1—C25—C30	106.36 (19)
C19—N8—C17—O4	178.1 (2)	O5—S1—C25—C26	173.77 (18)
C16—N8—C17—O4	1.9 (3)	O6—S1—C25—C26	44.1 (2)
C19—N8—C17—N7	−3.0 (3)	N9—S1—C25—C26	−69.9 (2)
C16—N8—C17—N7	−179.2 (2)	C30—C25—C26—C27	−2.1 (3)
C17—N7—C18—C19	−7.7 (2)	S1—C25—C26—C27	173.96 (18)
C17—N7—C18—C20	−127.5 (2)	C30—C25—C26—C31	176.3 (2)
C17—N7—C18—C24	108.4 (2)	S1—C25—C26—C31	−7.6 (3)
C17—N8—C19—O3	179.4 (2)	C25—C26—C27—C28	1.1 (4)
C16—N8—C19—O3	−4.3 (4)	C31—C26—C27—C28	−177.4 (2)
C17—N8—C19—C18	−1.9 (2)	C26—C27—C28—C29	0.5 (4)
C16—N8—C19—C18	174.32 (19)	C27—C28—C29—C30	−1.2 (4)
N7—C18—C19—O3	−175.9 (2)	C28—C29—C30—C25	0.3 (4)
C20—C18—C19—O3	−54.6 (3)	C26—C25—C30—C29	1.5 (4)
C24—C18—C19—O3	66.6 (3)	S1—C25—C30—C29	−174.8 (2)
N7—C18—C19—N8	5.5 (2)

D—H···A	D—H	H···A	D···A	D—H···A
N7—H7···O4i	0.86	2.04	2.885 (2)	166.
N9—H9···O6ii	0.86	2.24	3.013 (2)	149.
C12—H12···O3iii	0.93	2.59	3.290 (3)	132.
C31—H31A···O6	0.96	2.20	2.973 (3)	137.
C31—H31C···O5iv	0.96	2.47	3.238 (3)	137.

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N7—H7⋯O4i	0.86	2.04	2.885 (2)	166
N9—H9⋯O6ii	0.86	2.24	3.013 (2)	149
C12—H12⋯O3iii	0.93	2.59	3.290 (3)	132
C31—H31A⋯O6	0.96	2.20	2.973 (3)	137
C31—H31C⋯O5iv	0.96	2.47	3.238 (3)	137

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