(3R,4S,5R)-Methyl 3,5-bis-[(tert-butyl-dimethyl-sil-yl)-oxy]-4-meth-oxy-cyclo-hex-1-ene-carboxyl-ate.

The title compound, C21H42O5Si2, was synthesized from (3R,4S,5R)-methyl 3,5-bis-[(tert-butyl-dimethyl-sil-yl)-oxy]-4-hy-droxy-cyclo-hex-1-ene-carboxyl-ate by an esterification reaction. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming helical chains propagating along [010].

Related literature

The title compound is an inter­mediate in the synthesis of vandetanib {systematic name: N-(4-bromo-2-fluoro­phen­yl)-6-meth­oxy-7-[(1-methyl-4-piperidin­yl)meth­oxy]-4-quinazolinamine} derivatives. For vandetanib as a tyrosine kinase inhib­itor, see: Heymach (2005 ▶); Morabito et al. (2009 ▶); Wells et al. (2010 ▶); Natale et al. (2009 ▶).

Experimental

Crystal data

C21H42O5Si2

M = 430.72

Monoclinic,

a = 10.760 (5) Å

b = 8.321 (4) Å

c = 14.601 (7) Å

β = 98.997 (9)°

V = 1291.3 (10) Å3

Z = 2

Mo Kα radiation

μ = 0.16 mm−1

T = 113 K

0.20 × 0.18 × 0.12 mm

Data collection

Rigaku Saturn724 CCD diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2007 ▶) T min = 0.968, T max = 0.981

13589 measured reflections

6015 independent reflections

4456 reflections with I > 2σ(I)

R int = 0.058

Refinement

R[F 2 > 2σ(F 2)] = 0.048

wR(F 2) = 0.073

S = 0.98

6015 reflections

265 parameters

1 restraint

H-atom parameters constrained

Δρmax = 0.21 e Å−3

Δρmin = −0.29 e Å−3

Absolute structure: Flack (1983 ▶), 2745 Friedel pairs

Flack parameter: −0.04 (9)

Data collection: CrystalClear (Rigaku, 2007 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; 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: CrystalStructure (Rigaku/MSC, 2006 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536813007551/vm2187sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813007551/vm2187Isup2.hkl

Click here for additional data file.

Supplementary material file. DOI: 10.1107/S1600536813007551/vm2187Isup4.cdx

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

C21H42O5Si2	F(000) = 472
Mr = 430.72	Dx = 1.108 Mg m−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71073 Å
a = 10.760 (5) Å	Cell parameters from 4632 reflections
b = 8.321 (4) Å	θ = 1.9–27.9°
c = 14.601 (7) Å	µ = 0.16 mm−1
β = 98.997 (9)°	T = 113 K
V = 1291.3 (10) Å3	Prism, colourless
Z = 2	0.20 × 0.18 × 0.12 mm

Rigaku Saturn724 CCD diffractometer	6015 independent reflections
Radiation source: rotating anode	4456 reflections with I > 2σ(I)
Multilayer monochromator	Rint = 0.058
Detector resolution: 14.22 pixels mm-1	θmax = 27.9°, θmin = 1.9°
ω and φ scans	h = −14→14
Absorption correction: multi-scan (CrystalClear; Rigaku, 2007)	k = −10→10
Tmin = 0.968, Tmax = 0.981	l = −19→19
13589 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.048	H-atom parameters constrained
wR(F2) = 0.073	w = 1/[σ2(Fo2) + (0.010P)2] where P = (Fo2 + 2Fc2)/3
S = 0.98	(Δ/σ)max = 0.001
6015 reflections	Δρmax = 0.21 e Å−3
265 parameters	Δρmin = −0.29 e Å−3
1 restraint	Absolute structure: Flack (1983), 2745 Friedel pairs
Primary atom site location: structure-invariant direct methods	Flack parameter: −0.04 (9)

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
Si1	0.43693 (6)	0.59832 (8)	0.75544 (5)	0.02755 (16)
Si2	0.93837 (6)	0.92816 (8)	0.82849 (4)	0.02554 (16)
O1	0.55081 (13)	0.59788 (19)	0.69212 (10)	0.0277 (4)
O2	0.66743 (13)	0.92780 (19)	0.57018 (10)	0.0307 (4)
O3	0.75863 (16)	0.3984 (2)	0.44370 (12)	0.0421 (5)
O4	0.93371 (15)	0.4208 (2)	0.54942 (11)	0.0367 (4)
O5	0.86351 (13)	0.89726 (17)	0.72306 (10)	0.0246 (4)
C1	0.5623 (2)	0.7011 (3)	0.61583 (16)	0.0274 (6)
H1	0.4777	0.7436	0.5885	0.033*
C2	0.61777 (19)	0.6039 (3)	0.54295 (15)	0.0290 (5)
H2A	0.5717	0.5011	0.5319	0.035*
H2B	0.6066	0.6644	0.4838	0.035*
C3	0.7562 (2)	0.5697 (3)	0.57327 (15)	0.0250 (5)
C4	0.8238 (2)	0.6447 (3)	0.64413 (15)	0.0238 (5)
H4	0.9101	0.6167	0.6598	0.029*
C5	0.7728 (2)	0.7704 (3)	0.70088 (15)	0.0242 (5)
H5	0.7564	0.7202	0.7601	0.029*
C6	0.6494 (2)	0.8400 (3)	0.65060 (15)	0.0266 (6)
H6	0.6093	0.9098	0.6935	0.032*
C7	0.6928 (2)	1.0957 (3)	0.58602 (16)	0.0488 (7)
H7A	0.6265	1.1434	0.6163	0.073*
H7B	0.6950	1.1496	0.5266	0.073*
H7C	0.7743	1.1086	0.6260	0.073*
C8	0.4174 (2)	0.8026 (3)	0.80365 (17)	0.0441 (7)
H8A	0.4949	0.8335	0.8444	0.066*
H8B	0.3473	0.8016	0.8392	0.066*
H8C	0.3998	0.8801	0.7527	0.066*
C9	0.2855 (2)	0.5375 (3)	0.68386 (17)	0.0412 (7)
H9A	0.2537	0.6259	0.6423	0.062*
H9B	0.2239	0.5122	0.7246	0.062*
H9C	0.2992	0.4426	0.6470	0.062*
C10	0.4906 (2)	0.4488 (3)	0.84924 (16)	0.0327 (6)
C11	0.4060 (3)	0.4598 (3)	0.92525 (17)	0.0537 (8)
H11A	0.4329	0.3794	0.9733	0.081*
H11B	0.3184	0.4396	0.8978	0.081*
H11C	0.4131	0.5673	0.9529	0.081*
C12	0.4852 (3)	0.2784 (3)	0.80998 (19)	0.0501 (8)
H12A	0.5357	0.2727	0.7598	0.075*
H12B	0.3977	0.2505	0.7858	0.075*
H12C	0.5186	0.2028	0.8591	0.075*
C13	0.6274 (2)	0.4848 (3)	0.89552 (17)	0.0515 (8)
H13A	0.6519	0.4094	0.9467	0.077*
H13B	0.6325	0.5950	0.9194	0.077*
H13C	0.6842	0.4727	0.8496	0.077*
C14	0.8129 (2)	0.4543 (3)	0.51520 (17)	0.0299 (6)
C15	0.9983 (3)	0.3166 (3)	0.49216 (19)	0.0448 (7)
H15A	0.9561	0.2119	0.4853	0.067*
H15B	1.0858	0.3022	0.5216	0.067*
H15C	0.9964	0.3656	0.4309	0.067*
C16	1.0379 (2)	0.7499 (3)	0.86556 (17)	0.0409 (7)
H16A	0.9843	0.6549	0.8664	0.061*
H16B	1.0847	0.7684	0.9278	0.061*
H16C	1.0973	0.7324	0.8220	0.061*
C17	0.8227 (2)	0.9581 (3)	0.90962 (15)	0.0384 (7)
H17A	0.7633	1.0430	0.8857	0.058*
H17B	0.8674	0.9893	0.9707	0.058*
H17C	0.7768	0.8578	0.9151	0.058*
C18	1.0368 (2)	1.1119 (3)	0.81908 (16)	0.0314 (6)
C19	1.1006 (2)	1.1013 (3)	0.73279 (15)	0.0429 (7)
H19A	1.1597	1.1908	0.7326	0.064*
H19B	1.0367	1.1069	0.6771	0.064*
H19C	1.1462	0.9993	0.7333	0.064*
C20	1.1383 (2)	1.1213 (4)	0.90549 (17)	0.0510 (8)
H20A	1.1989	1.0339	0.9039	0.076*
H20B	1.0988	1.1113	0.9613	0.076*
H20C	1.1820	1.2248	0.9064	0.076*
C21	0.9558 (3)	1.2647 (3)	0.8138 (2)	0.0521 (9)
H21A	0.9137	1.2710	0.8685	0.078*
H21B	0.8924	1.2613	0.7577	0.078*
H21C	1.0095	1.3593	0.8116	0.078*

	U11	U22	U33	U12	U13	U23
Si1	0.0247 (4)	0.0286 (4)	0.0307 (4)	−0.0038 (3)	0.0084 (3)	0.0005 (3)
Si2	0.0258 (4)	0.0250 (3)	0.0258 (4)	−0.0017 (3)	0.0038 (3)	−0.0023 (3)
O1	0.0305 (9)	0.0244 (8)	0.0305 (9)	−0.0039 (8)	0.0118 (7)	0.0027 (8)
O2	0.0330 (10)	0.0296 (9)	0.0293 (9)	−0.0063 (9)	0.0039 (8)	0.0070 (8)
O3	0.0526 (12)	0.0404 (11)	0.0344 (10)	−0.0022 (10)	0.0103 (9)	−0.0126 (9)
O4	0.0402 (11)	0.0333 (9)	0.0389 (10)	0.0074 (10)	0.0137 (9)	−0.0083 (9)
O5	0.0239 (9)	0.0259 (9)	0.0238 (8)	−0.0070 (7)	0.0027 (7)	0.0000 (7)
C1	0.0271 (15)	0.0303 (13)	0.0261 (13)	−0.0032 (11)	0.0076 (12)	0.0023 (11)
C2	0.0293 (14)	0.0325 (13)	0.0261 (13)	−0.0070 (13)	0.0071 (11)	−0.0070 (13)
C3	0.0284 (13)	0.0223 (13)	0.0269 (13)	−0.0053 (10)	0.0121 (11)	−0.0011 (10)
C4	0.0228 (13)	0.0242 (13)	0.0258 (13)	−0.0020 (10)	0.0081 (11)	0.0010 (10)
C5	0.0263 (14)	0.0243 (12)	0.0228 (13)	−0.0053 (11)	0.0060 (11)	0.0002 (10)
C6	0.0297 (15)	0.0285 (13)	0.0223 (13)	−0.0015 (11)	0.0065 (11)	0.0026 (11)
C7	0.0525 (17)	0.0375 (15)	0.0521 (18)	−0.0128 (16)	−0.0055 (14)	0.0143 (16)
C8	0.0436 (18)	0.0375 (15)	0.057 (2)	0.0024 (14)	0.0250 (16)	−0.0008 (14)
C9	0.0345 (16)	0.0421 (16)	0.0460 (17)	−0.0101 (12)	0.0030 (13)	0.0066 (14)
C10	0.0306 (15)	0.0356 (15)	0.0330 (14)	−0.0086 (12)	0.0089 (12)	0.0021 (12)
C11	0.065 (2)	0.057 (2)	0.0444 (18)	−0.0087 (16)	0.0247 (16)	0.0125 (16)
C12	0.055 (2)	0.0378 (17)	0.058 (2)	−0.0007 (15)	0.0082 (17)	0.0078 (15)
C13	0.0412 (18)	0.062 (2)	0.0471 (18)	−0.0091 (15)	−0.0064 (14)	0.0198 (16)
C14	0.0361 (16)	0.0248 (14)	0.0320 (14)	−0.0073 (12)	0.0146 (12)	−0.0002 (11)
C15	0.0537 (18)	0.0387 (16)	0.0472 (17)	0.0135 (15)	0.0241 (15)	−0.0056 (14)
C16	0.0421 (17)	0.0359 (16)	0.0429 (17)	0.0046 (13)	0.0008 (14)	0.0045 (14)
C17	0.0428 (17)	0.0393 (17)	0.0353 (15)	−0.0083 (13)	0.0136 (13)	−0.0057 (13)
C18	0.0321 (14)	0.0280 (13)	0.0344 (14)	−0.0053 (13)	0.0065 (12)	−0.0077 (13)
C19	0.0434 (16)	0.0476 (15)	0.0392 (16)	−0.0200 (16)	0.0110 (13)	−0.0045 (15)
C20	0.0497 (18)	0.0577 (19)	0.0436 (18)	−0.0243 (17)	0.0011 (15)	−0.0130 (16)
C21	0.059 (2)	0.0201 (14)	0.078 (2)	−0.0042 (14)	0.0140 (19)	−0.0030 (15)

Si1—O1	1.6464 (15)	C9—H9B	0.9800
Si1—C9	1.863 (2)	C9—H9C	0.9800
Si1—C8	1.864 (3)	C10—C12	1.527 (3)
Si1—C10	1.874 (3)	C10—C11	1.544 (3)
Si2—O5	1.6421 (16)	C10—C13	1.549 (3)
Si2—C16	1.860 (2)	C11—H11A	0.9800
Si2—C17	1.864 (2)	C11—H11B	0.9800
Si2—C18	1.877 (3)	C11—H11C	0.9800
O1—C1	1.427 (2)	C12—H12A	0.9800
O2—C6	1.422 (2)	C12—H12B	0.9800
O2—C7	1.435 (3)	C12—H12C	0.9800
O3—C14	1.207 (3)	C13—H13A	0.9800
O4—C14	1.347 (3)	C13—H13B	0.9800
O4—C15	1.454 (3)	C13—H13C	0.9800
O5—C5	1.440 (2)	C15—H15A	0.9800
C1—C6	1.523 (3)	C15—H15B	0.9800
C1—C2	1.530 (3)	C15—H15C	0.9800
C1—H1	1.0000	C16—H16A	0.9800
C2—C3	1.513 (3)	C16—H16B	0.9800
C2—H2A	0.9900	C16—H16C	0.9800
C2—H2B	0.9900	C17—H17A	0.9800
C3—C4	1.324 (3)	C17—H17B	0.9800
C3—C14	1.475 (3)	C17—H17C	0.9800
C4—C5	1.492 (3)	C18—C19	1.529 (3)
C4—H4	0.9500	C18—C20	1.536 (3)
C5—C6	1.527 (3)	C18—C21	1.537 (3)
C5—H5	1.0000	C19—H19A	0.9800
C6—H6	1.0000	C19—H19B	0.9800
C7—H7A	0.9800	C19—H19C	0.9800
C7—H7B	0.9800	C20—H20A	0.9800
C7—H7C	0.9800	C20—H20B	0.9800
C8—H8A	0.9800	C20—H20C	0.9800
C8—H8B	0.9800	C21—H21A	0.9800
C8—H8C	0.9800	C21—H21B	0.9800
C9—H9A	0.9800	C21—H21C	0.9800
O1—Si1—C9	110.29 (10)	C12—C10—Si1	110.67 (18)
O1—Si1—C8	110.58 (10)	C11—C10—Si1	109.69 (17)
C9—Si1—C8	108.63 (12)	C13—C10—Si1	110.70 (16)
O1—Si1—C10	103.74 (10)	C10—C11—H11A	109.5
C9—Si1—C10	111.85 (11)	C10—C11—H11B	109.5
C8—Si1—C10	111.69 (12)	H11A—C11—H11B	109.5
O5—Si2—C16	108.88 (10)	C10—C11—H11C	109.5
O5—Si2—C17	109.77 (10)	H11A—C11—H11C	109.5
C16—Si2—C17	109.45 (12)	H11B—C11—H11C	109.5
O5—Si2—C18	104.99 (10)	C10—C12—H12A	109.5
C16—Si2—C18	111.41 (12)	C10—C12—H12B	109.5
C17—Si2—C18	112.21 (11)	H12A—C12—H12B	109.5
C1—O1—Si1	126.87 (15)	C10—C12—H12C	109.5
C6—O2—C7	114.49 (18)	H12A—C12—H12C	109.5
C14—O4—C15	115.5 (2)	H12B—C12—H12C	109.5
C5—O5—Si2	122.79 (13)	C10—C13—H13A	109.5
O1—C1—C6	108.68 (18)	C10—C13—H13B	109.5
O1—C1—C2	108.40 (18)	H13A—C13—H13B	109.5
C6—C1—C2	110.27 (18)	C10—C13—H13C	109.5
O1—C1—H1	109.8	H13A—C13—H13C	109.5
C6—C1—H1	109.8	H13B—C13—H13C	109.5
C2—C1—H1	109.8	O3—C14—O4	123.3 (2)
C3—C2—C1	111.65 (19)	O3—C14—C3	124.1 (2)
C3—C2—H2A	109.3	O4—C14—C3	112.5 (2)
C1—C2—H2A	109.3	O4—C15—H15A	109.5
C3—C2—H2B	109.3	O4—C15—H15B	109.5
C1—C2—H2B	109.3	H15A—C15—H15B	109.5
H2A—C2—H2B	108.0	O4—C15—H15C	109.5
C4—C3—C14	122.0 (2)	H15A—C15—H15C	109.5
C4—C3—C2	122.4 (2)	H15B—C15—H15C	109.5
C14—C3—C2	115.5 (2)	Si2—C16—H16A	109.5
C3—C4—C5	124.0 (2)	Si2—C16—H16B	109.5
C3—C4—H4	118.0	H16A—C16—H16B	109.5
C5—C4—H4	118.0	Si2—C16—H16C	109.5
O5—C5—C4	110.08 (18)	H16A—C16—H16C	109.5
O5—C5—C6	109.77 (18)	H16B—C16—H16C	109.5
C4—C5—C6	111.52 (19)	Si2—C17—H17A	109.5
O5—C5—H5	108.5	Si2—C17—H17B	109.5
C4—C5—H5	108.5	H17A—C17—H17B	109.5
C6—C5—H5	108.5	Si2—C17—H17C	109.5
O2—C6—C1	105.72 (18)	H17A—C17—H17C	109.5
O2—C6—C5	111.78 (18)	H17B—C17—H17C	109.5
C1—C6—C5	108.40 (19)	C19—C18—C20	109.1 (2)
O2—C6—H6	110.3	C19—C18—C21	109.3 (2)
C1—C6—H6	110.3	C20—C18—C21	108.9 (2)
C5—C6—H6	110.3	C19—C18—Si2	110.14 (17)
O2—C7—H7A	109.5	C20—C18—Si2	108.56 (18)
O2—C7—H7B	109.5	C21—C18—Si2	110.82 (16)
H7A—C7—H7B	109.5	C18—C19—H19A	109.5
O2—C7—H7C	109.5	C18—C19—H19B	109.5
H7A—C7—H7C	109.5	H19A—C19—H19B	109.5
H7B—C7—H7C	109.5	C18—C19—H19C	109.5
Si1—C8—H8A	109.5	H19A—C19—H19C	109.5
Si1—C8—H8B	109.5	H19B—C19—H19C	109.5
H8A—C8—H8B	109.5	C18—C20—H20A	109.5
Si1—C8—H8C	109.5	C18—C20—H20B	109.5
H8A—C8—H8C	109.5	H20A—C20—H20B	109.5
H8B—C8—H8C	109.5	C18—C20—H20C	109.5
Si1—C9—H9A	109.5	H20A—C20—H20C	109.5
Si1—C9—H9B	109.5	H20B—C20—H20C	109.5
H9A—C9—H9B	109.5	C18—C21—H21A	109.5
Si1—C9—H9C	109.5	C18—C21—H21B	109.5
H9A—C9—H9C	109.5	H21A—C21—H21B	109.5
H9B—C9—H9C	109.5	C18—C21—H21C	109.5
C12—C10—C11	109.4 (2)	H21A—C21—H21C	109.5
C12—C10—C13	108.7 (2)	H21B—C21—H21C	109.5
C11—C10—C13	107.5 (2)
C9—Si1—O1—C1	65.82 (19)	O5—C5—C6—C1	171.87 (16)
C8—Si1—O1—C1	−54.4 (2)	C4—C5—C6—C1	49.6 (2)
C10—Si1—O1—C1	−174.24 (17)	O1—Si1—C10—C12	−70.14 (19)
C16—Si2—O5—C5	63.48 (18)	C9—Si1—C10—C12	48.7 (2)
C17—Si2—O5—C5	−56.31 (18)	C8—Si1—C10—C12	170.72 (18)
C18—Si2—O5—C5	−177.12 (16)	O1—Si1—C10—C11	169.01 (16)
Si1—O1—C1—C6	97.0 (2)	C9—Si1—C10—C11	−72.1 (2)
Si1—O1—C1—C2	−143.19 (15)	C8—Si1—C10—C11	49.9 (2)
O1—C1—C2—C3	−73.1 (2)	O1—Si1—C10—C13	50.48 (19)
C6—C1—C2—C3	45.8 (3)	C9—Si1—C10—C13	169.35 (17)
C1—C2—C3—C4	−13.4 (3)	C8—Si1—C10—C13	−68.6 (2)
C1—C2—C3—C14	170.15 (18)	C15—O4—C14—O3	2.6 (3)
C14—C3—C4—C5	175.70 (19)	C15—O4—C14—C3	−175.76 (18)
C2—C3—C4—C5	−0.5 (3)	C4—C3—C14—O3	−170.6 (2)
Si2—O5—C5—C4	−110.40 (18)	C2—C3—C14—O3	5.9 (3)
Si2—O5—C5—C6	126.48 (16)	C4—C3—C14—O4	7.8 (3)
C3—C4—C5—O5	−140.3 (2)	C2—C3—C14—O4	−175.7 (2)
C3—C4—C5—C6	−18.3 (3)	O5—Si2—C18—C19	−43.92 (18)
C7—O2—C6—C1	151.68 (18)	C16—Si2—C18—C19	73.8 (2)
C7—O2—C6—C5	−90.6 (2)	C17—Si2—C18—C19	−163.11 (17)
O1—C1—C6—O2	173.92 (17)	O5—Si2—C18—C20	−163.30 (16)
C2—C1—C6—O2	55.2 (2)	C16—Si2—C18—C20	−45.6 (2)
O1—C1—C6—C5	53.9 (2)	C17—Si2—C18—C20	77.52 (19)
C2—C1—C6—C5	−64.8 (2)	O5—Si2—C18—C21	77.13 (18)
O5—C5—C6—O2	55.7 (2)	C16—Si2—C18—C21	−165.17 (17)
C4—C5—C6—O2	−66.5 (2)	C17—Si2—C18—C21	−42.1 (2)

D—H···A	D—H	H···A	D···A	D—H···A
C7—H7B···O3i	0.98	2.55	3.410 (3)	147
C9—H9A···O3ii	0.98	2.59	3.527 (3)	161

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C7—H7B⋯O3i	0.98	2.55	3.410 (3)	147
C9—H9A⋯O3ii	0.98	2.59	3.527 (3)	161

Symmetry codes: (i) ; (ii) .