(3aR*,6S*,7S*,7aR*)-2-(4-Methoxy-benz-yl)-7-(4-nitro-phen-yl)-6-phenyl-3a,6,7,7a-tetra-hydro-isoindolin-1-one.

The title compound, C(28)H(26)N(2)O(4), crystallizes as a racemate with four stereogenic centers. In the molecule, the pyrrolidone ring adopts an envelope conformation and the cyclo-hexene ring has a twisted envelope conformation. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds.

Related literature

For bioactive compounds, see: Walling et al. (1988 ▶); Liu et al. (2006 ▶, 2008 ▶). For microwave-assisted intra­molecular Diels–Alder cyclo­addition, see: Wang et al. (2009 ▶); Wu et al. (2006 ▶, 2007 ▶). For the synthesis of title compound, see: Wu et al. (2009 ▶).

Experimental

Crystal data

C28H26N2O4

M = 454.51

Triclinic,

a = 5.4369 (4) Å

b = 12.2662 (7) Å

c = 18.149 (1) Å

α = 79.633 (1)°

β = 84.036 (2)°

γ = 80.325 (2)°

V = 1170.25 (13) Å3

Z = 2

Mo Kα radiation

μ = 0.09 mm−1

T = 296 K

0.37 × 0.31 × 0.18 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.967, T max = 0.985

11469 measured reflections

5285 independent reflections

3402 reflections with I > 2σ(I)

R int = 0.024

Refinement

R[F 2 > 2σ(F 2)] = 0.042

wR(F 2) = 0.123

S = 1.01

5285 reflections

309 parameters

H-atom parameters constrained

Δρmax = 0.23 e Å−3

Δρmin = −0.22 e Å−3

Data collection: PROCESS-AUTO (Rigaku, 2006 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku, 2007 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810017010/lx2150sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810017010/lx2150Isup2.hkl

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

C28H26N2O4	Z = 2
Mr = 454.51	F(000) = 480
Triclinic, P1	Dx = 1.290 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 5.4369 (4) Å	Cell parameters from 7298 reflections
b = 12.2662 (7) Å	θ = 3.1–27.4°
c = 18.149 (1) Å	µ = 0.09 mm−1
α = 79.633 (1)°	T = 296 K
β = 84.036 (2)°	Block, colorless
γ = 80.325 (2)°	0.37 × 0.31 × 0.18 mm
V = 1170.25 (13) Å3

Rigaku R-AXIS RAPID diffractometer	5285 independent reflections
Radiation source: rotating anode	3402 reflections with I > 2σ(I)
graphite	Rint = 0.024
Detector resolution: 10.00 pixels mm-1	θmax = 27.4°, θmin = 3.1°
ω scans	h = −7→7
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −15→15
Tmin = 0.967, Tmax = 0.985	l = −23→23
11469 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042	H-atom parameters constrained
wR(F2) = 0.123	w = 1/[σ2(Fo2) + (0.041P)2 + 0.4229P] where P = (Fo2 + 2Fc2)/3
S = 1.01	(Δ/σ)max < 0.001
5285 reflections	Δρmax = 0.23 e Å−3
309 parameters	Δρmin = −0.22 e Å−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.030 (2)

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
O1	0.3920 (3)	0.60330 (10)	0.32284 (8)	0.0562 (4)
C3	−0.0091 (3)	0.63563 (13)	0.20272 (9)	0.0372 (4)
H3	−0.1434	0.6128	0.2396	0.045*
C9	0.0145 (3)	0.75414 (13)	0.21103 (9)	0.0354 (4)
O4	−0.0827 (3)	0.11519 (11)	0.56486 (8)	0.0626 (4)
C10	−0.1747 (3)	0.81473 (14)	0.25156 (10)	0.0437 (4)
H10	−0.3107	0.7810	0.2743	0.052*
C4	−0.0937 (3)	0.62877 (14)	0.12304 (10)	0.0403 (4)
H4	−0.2705	0.6622	0.1227	0.048*
C2	0.2183 (3)	0.54638 (12)	0.21746 (9)	0.0345 (4)
H2	0.3394	0.5560	0.1738	0.041*
N1	0.4524 (3)	0.42079 (11)	0.30303 (8)	0.0451 (4)
C13	0.2321 (3)	0.91472 (14)	0.18609 (10)	0.0422 (4)
H13	0.3688	0.9486	0.1643	0.051*
C14	0.2179 (3)	0.80600 (13)	0.17894 (10)	0.0410 (4)
H14	0.3471	0.7665	0.1521	0.049*
C25	0.0719 (4)	0.18191 (15)	0.52078 (10)	0.0463 (4)
C11	−0.1642 (4)	0.92434 (15)	0.25872 (11)	0.0510 (5)
H11	−0.2930	0.9648	0.2851	0.061*
C12	0.0403 (3)	0.97220 (13)	0.22604 (10)	0.0429 (4)
C15	0.0421 (3)	0.69472 (14)	0.05692 (10)	0.0417 (4)
C1	0.3594 (3)	0.53126 (13)	0.28773 (9)	0.0391 (4)
C26	0.0549 (4)	0.29610 (15)	0.51910 (11)	0.0532 (5)
H26	−0.0676	0.3333	0.5494	0.064*
C5	−0.0810 (3)	0.50875 (15)	0.11146 (11)	0.0454 (4)
H5	−0.1559	0.4971	0.0703	0.054*
C7	0.1409 (3)	0.43048 (13)	0.22418 (10)	0.0415 (4)
H7	0.0091	0.4250	0.2652	0.050*
C22	0.4095 (3)	0.30153 (14)	0.42622 (10)	0.0444 (4)
C6	0.0281 (3)	0.41877 (15)	0.15518 (11)	0.0473 (4)
H6	0.0342	0.3481	0.1427	0.057*
N2	0.0562 (4)	1.08752 (13)	0.23437 (11)	0.0613 (5)
C27	0.2232 (4)	0.35445 (15)	0.47165 (11)	0.0531 (5)
H27	0.2107	0.4313	0.4703	0.064*
C24	0.2572 (4)	0.12738 (15)	0.47615 (11)	0.0541 (5)
H24	0.2693	0.0505	0.4774	0.065*
O2	−0.1207 (4)	1.14155 (13)	0.26491 (12)	0.0936 (6)
C23	0.4236 (4)	0.18681 (15)	0.42990 (11)	0.0518 (5)
H23	0.5482	0.1491	0.4005	0.062*
C8	0.3733 (4)	0.35368 (14)	0.25297 (11)	0.0486 (5)
H8A	0.3336	0.2824	0.2802	0.058*
H8B	0.4999	0.3405	0.2124	0.058*
O3	0.2473 (4)	1.12510 (13)	0.20977 (13)	0.0982 (7)
C20	0.2721 (4)	0.65034 (17)	0.02460 (10)	0.0491 (4)
H20	0.3444	0.5777	0.0433	0.059*
C21	0.5791 (4)	0.36794 (16)	0.37105 (11)	0.0507 (5)
H21A	0.6282	0.4253	0.3944	0.061*
H21B	0.7294	0.3185	0.3575	0.061*
C16	−0.0606 (4)	0.80281 (17)	0.02643 (12)	0.0608 (5)
H16	−0.2147	0.8347	0.0465	0.073*
C28	−0.2937 (4)	0.16809 (19)	0.60542 (12)	0.0601 (5)
H28A	−0.2378	0.2032	0.6425	0.090*
H28B	−0.3949	0.1130	0.6297	0.090*
H28C	−0.3906	0.2238	0.5714	0.090*
C19	0.3949 (5)	0.7124 (2)	−0.03484 (12)	0.0679 (6)
H19	0.5496	0.6816	−0.0551	0.081*
C17	0.0632 (6)	0.8639 (2)	−0.03356 (14)	0.0801 (8)
H17	−0.0087	0.9362	−0.0533	0.096*
C18	0.2906 (6)	0.8187 (2)	−0.06392 (14)	0.0814 (8)
H18	0.3733	0.8601	−0.1040	0.098*

	U11	U22	U33	U12	U13	U23
O1	0.0704 (9)	0.0431 (7)	0.0610 (8)	−0.0104 (6)	−0.0178 (7)	−0.0151 (6)
C3	0.0321 (9)	0.0353 (8)	0.0455 (9)	−0.0097 (7)	0.0068 (7)	−0.0113 (7)
C9	0.0323 (9)	0.0350 (8)	0.0391 (9)	−0.0052 (6)	0.0006 (7)	−0.0089 (7)
O4	0.0693 (10)	0.0519 (8)	0.0665 (9)	−0.0207 (7)	0.0211 (7)	−0.0142 (7)
C10	0.0363 (9)	0.0427 (9)	0.0534 (10)	−0.0074 (7)	0.0062 (8)	−0.0157 (8)
C4	0.0284 (9)	0.0415 (9)	0.0527 (10)	−0.0055 (7)	−0.0021 (7)	−0.0126 (8)
C2	0.0352 (9)	0.0305 (8)	0.0378 (8)	−0.0085 (6)	0.0042 (7)	−0.0062 (7)
N1	0.0567 (10)	0.0342 (7)	0.0440 (8)	−0.0094 (7)	−0.0054 (7)	−0.0021 (6)
C13	0.0399 (10)	0.0366 (8)	0.0505 (10)	−0.0101 (7)	−0.0004 (8)	−0.0058 (8)
C14	0.0325 (9)	0.0373 (8)	0.0536 (10)	−0.0056 (7)	0.0066 (7)	−0.0143 (8)
C25	0.0514 (11)	0.0427 (9)	0.0447 (10)	−0.0115 (8)	0.0029 (8)	−0.0067 (8)
C11	0.0441 (11)	0.0470 (10)	0.0634 (12)	−0.0027 (8)	0.0085 (9)	−0.0240 (9)
C12	0.0482 (11)	0.0302 (8)	0.0516 (10)	−0.0028 (7)	−0.0070 (8)	−0.0116 (8)
C15	0.0423 (10)	0.0425 (9)	0.0439 (9)	−0.0097 (7)	−0.0091 (8)	−0.0105 (8)
C1	0.0404 (10)	0.0347 (8)	0.0430 (9)	−0.0122 (7)	0.0042 (7)	−0.0065 (7)
C26	0.0549 (12)	0.0434 (10)	0.0580 (12)	−0.0023 (9)	0.0089 (9)	−0.0120 (9)
C5	0.0419 (10)	0.0475 (10)	0.0535 (10)	−0.0161 (8)	−0.0042 (8)	−0.0175 (9)
C7	0.0470 (10)	0.0330 (8)	0.0467 (10)	−0.0144 (7)	0.0051 (8)	−0.0093 (7)
C22	0.0454 (11)	0.0403 (9)	0.0446 (10)	−0.0052 (8)	−0.0064 (8)	0.0014 (8)
C6	0.0497 (11)	0.0393 (9)	0.0590 (11)	−0.0180 (8)	0.0013 (9)	−0.0175 (9)
N2	0.0682 (12)	0.0380 (8)	0.0807 (13)	−0.0074 (8)	−0.0033 (10)	−0.0200 (9)
C27	0.0619 (13)	0.0339 (9)	0.0602 (12)	−0.0049 (8)	0.0016 (10)	−0.0055 (9)
C24	0.0660 (13)	0.0351 (9)	0.0590 (12)	−0.0079 (9)	0.0096 (10)	−0.0097 (9)
O2	0.0970 (14)	0.0506 (9)	0.1350 (16)	−0.0010 (9)	0.0198 (12)	−0.0457 (10)
C23	0.0573 (12)	0.0421 (10)	0.0519 (11)	−0.0028 (8)	0.0080 (9)	−0.0081 (9)
C8	0.0625 (12)	0.0324 (8)	0.0509 (11)	−0.0080 (8)	−0.0036 (9)	−0.0069 (8)
O3	0.0893 (13)	0.0558 (9)	0.1607 (19)	−0.0331 (9)	0.0210 (13)	−0.0445 (11)
C20	0.0476 (11)	0.0564 (11)	0.0470 (10)	−0.0139 (9)	−0.0005 (8)	−0.0146 (9)
C21	0.0492 (11)	0.0485 (10)	0.0512 (11)	−0.0102 (8)	−0.0058 (9)	0.0035 (9)
C16	0.0701 (14)	0.0524 (11)	0.0585 (12)	−0.0043 (10)	−0.0128 (11)	−0.0055 (10)
C28	0.0536 (13)	0.0750 (14)	0.0512 (12)	−0.0146 (10)	0.0070 (10)	−0.0106 (10)
C19	0.0690 (15)	0.0910 (17)	0.0500 (12)	−0.0321 (13)	0.0083 (11)	−0.0174 (12)
C17	0.121 (2)	0.0580 (13)	0.0596 (14)	−0.0195 (14)	−0.0225 (15)	0.0097 (11)
C18	0.106 (2)	0.0889 (18)	0.0527 (14)	−0.0455 (17)	−0.0008 (14)	0.0034 (13)

O1—C1	1.2235 (19)	C26—H26	0.9300
C3—C9	1.516 (2)	C5—C6	1.328 (3)
C3—C2	1.519 (2)	C5—H5	0.9300
C3—C4	1.583 (2)	C7—C6	1.489 (2)
C3—H3	0.9800	C7—C8	1.522 (3)
C9—C10	1.391 (2)	C7—H7	0.9800
C9—C14	1.392 (2)	C22—C23	1.386 (2)
O4—C25	1.368 (2)	C22—C27	1.388 (3)
O4—C28	1.423 (2)	C22—C21	1.511 (2)
C10—C11	1.385 (2)	C6—H6	0.9300
C10—H10	0.9300	N2—O2	1.216 (2)
C4—C5	1.513 (2)	N2—O3	1.217 (2)
C4—C15	1.519 (2)	C27—H27	0.9300
C4—H4	0.9800	C24—C23	1.378 (3)
C2—C1	1.523 (2)	C24—H24	0.9300
C2—C7	1.530 (2)	C23—H23	0.9300
C2—H2	0.9800	C8—H8A	0.9700
N1—C1	1.354 (2)	C8—H8B	0.9700
N1—C8	1.469 (2)	C20—C19	1.384 (3)
N1—C21	1.469 (2)	C20—H20	0.9300
C13—C12	1.375 (2)	C21—H21A	0.9700
C13—C14	1.378 (2)	C21—H21B	0.9700
C13—H13	0.9300	C16—C17	1.387 (3)
C14—H14	0.9300	C16—H16	0.9300
C25—C26	1.383 (2)	C28—H28A	0.9600
C25—C24	1.385 (3)	C28—H28B	0.9600
C11—C12	1.375 (2)	C28—H28C	0.9600
C11—H11	0.9300	C19—C18	1.366 (4)
C12—N2	1.467 (2)	C19—H19	0.9300
C15—C16	1.388 (3)	C17—C18	1.370 (4)
C15—C20	1.392 (3)	C17—H17	0.9300
C26—C27	1.387 (3)	C18—H18	0.9300
C9—C3—C2	117.16 (13)	C6—C7—C2	111.36 (14)
C9—C3—C4	112.57 (13)	C8—C7—C2	101.77 (13)
C2—C3—C4	107.27 (12)	C6—C7—H7	106.7
C9—C3—H3	106.4	C8—C7—H7	106.7
C2—C3—H3	106.4	C2—C7—H7	106.7
C4—C3—H3	106.4	C23—C22—C27	117.55 (17)
C10—C9—C14	118.12 (15)	C23—C22—C21	121.30 (17)
C10—C9—C3	119.26 (14)	C27—C22—C21	121.02 (16)
C14—C9—C3	122.61 (14)	C5—C6—C7	120.34 (15)
C25—O4—C28	117.97 (15)	C5—C6—H6	119.8
C11—C10—C9	121.17 (16)	C7—C6—H6	119.8
C11—C10—H10	119.4	O2—N2—O3	122.85 (17)
C9—C10—H10	119.4	O2—N2—C12	119.12 (18)
C5—C4—C15	110.34 (14)	O3—N2—C12	118.03 (17)
C5—C4—C3	111.94 (14)	C26—C27—C22	121.97 (17)
C15—C4—C3	114.83 (13)	C26—C27—H27	119.0
C5—C4—H4	106.4	C22—C27—H27	119.0
C15—C4—H4	106.4	C23—C24—C25	120.09 (17)
C3—C4—H4	106.4	C23—C24—H24	120.0
C3—C2—C1	122.36 (13)	C25—C24—H24	120.0
C3—C2—C7	109.16 (13)	C24—C23—C22	121.43 (17)
C1—C2—C7	101.14 (13)	C24—C23—H23	119.3
C3—C2—H2	107.8	C22—C23—H23	119.3
C1—C2—H2	107.8	N1—C8—C7	100.71 (13)
C7—C2—H2	107.8	N1—C8—H8A	111.6
C1—N1—C8	113.54 (14)	C7—C8—H8A	111.6
C1—N1—C21	123.90 (15)	N1—C8—H8B	111.6
C8—N1—C21	121.57 (14)	C7—C8—H8B	111.6
C12—C13—C14	118.76 (16)	H8A—C8—H8B	109.4
C12—C13—H13	120.6	C19—C20—C15	121.2 (2)
C14—C13—H13	120.6	C19—C20—H20	119.4
C13—C14—C9	121.40 (16)	C15—C20—H20	119.4
C13—C14—H14	119.3	N1—C21—C22	110.87 (15)
C9—C14—H14	119.3	N1—C21—H21A	109.5
O4—C25—C26	124.70 (17)	C22—C21—H21A	109.5
O4—C25—C24	115.44 (16)	N1—C21—H21B	109.5
C26—C25—C24	119.85 (17)	C22—C21—H21B	109.5
C12—C11—C10	118.70 (16)	H21A—C21—H21B	108.1
C12—C11—H11	120.7	C17—C16—C15	120.9 (2)
C10—C11—H11	120.7	C17—C16—H16	119.5
C13—C12—C11	121.85 (15)	C15—C16—H16	119.5
C13—C12—N2	118.85 (16)	O4—C28—H28A	109.5
C11—C12—N2	119.30 (16)	O4—C28—H28B	109.5
C16—C15—C20	117.41 (18)	H28A—C28—H28B	109.5
C16—C15—C4	120.60 (17)	O4—C28—H28C	109.5
C20—C15—C4	121.99 (16)	H28A—C28—H28C	109.5
O1—C1—N1	125.80 (17)	H28B—C28—H28C	109.5
O1—C1—C2	128.05 (15)	C18—C19—C20	120.5 (2)
N1—C1—C2	106.10 (13)	C18—C19—H19	119.8
C25—C26—C27	119.10 (17)	C20—C19—H19	119.8
C25—C26—H26	120.5	C18—C17—C16	120.5 (2)
C27—C26—H26	120.5	C18—C17—H17	119.7
C6—C5—C4	125.40 (16)	C16—C17—H17	119.7
C6—C5—H5	117.3	C19—C18—C17	119.5 (2)
C4—C5—H5	117.3	C19—C18—H18	120.2
C6—C7—C8	122.74 (15)	C17—C18—H18	120.2
C2—C3—C9—C10	−132.93 (17)	C15—C4—C5—C6	117.7 (2)
C4—C3—C9—C10	102.00 (18)	C3—C4—C5—C6	−11.5 (2)
C2—C3—C9—C14	47.7 (2)	C3—C2—C7—C6	57.77 (18)
C4—C3—C9—C14	−77.3 (2)	C1—C2—C7—C6	−172.00 (14)
C14—C9—C10—C11	1.3 (3)	C3—C2—C7—C8	−169.81 (14)
C3—C9—C10—C11	−178.11 (17)	C1—C2—C7—C8	−39.58 (16)
C9—C3—C4—C5	171.91 (14)	C4—C5—C6—C7	3.0 (3)
C2—C3—C4—C5	41.60 (17)	C8—C7—C6—C5	−146.39 (18)
C9—C3—C4—C15	45.10 (19)	C2—C7—C6—C5	−25.6 (2)
C2—C3—C4—C15	−85.20 (16)	C13—C12—N2—O2	174.7 (2)
C9—C3—C2—C1	49.5 (2)	C11—C12—N2—O2	−5.7 (3)
C4—C3—C2—C1	177.21 (13)	C13—C12—N2—O3	−4.9 (3)
C9—C3—C2—C7	167.06 (14)	C11—C12—N2—O3	174.6 (2)
C4—C3—C2—C7	−65.26 (16)	C25—C26—C27—C22	−0.5 (3)
C12—C13—C14—C9	0.2 (3)	C23—C22—C27—C26	−0.3 (3)
C10—C9—C14—C13	−0.7 (3)	C21—C22—C27—C26	175.68 (18)
C3—C9—C14—C13	178.63 (16)	O4—C25—C24—C23	−179.69 (18)
C28—O4—C25—C26	7.7 (3)	C26—C25—C24—C23	−0.3 (3)
C28—O4—C25—C24	−172.98 (18)	C25—C24—C23—C22	−0.6 (3)
C9—C10—C11—C12	−1.2 (3)	C27—C22—C23—C24	0.8 (3)
C14—C13—C12—C11	−0.1 (3)	C21—C22—C23—C24	−175.12 (18)
C14—C13—C12—N2	179.39 (17)	C1—N1—C8—C7	−20.81 (19)
C10—C11—C12—C13	0.7 (3)	C21—N1—C8—C7	148.23 (16)
C10—C11—C12—N2	−178.85 (17)	C6—C7—C8—N1	161.81 (15)
C5—C4—C15—C16	137.20 (17)	C2—C7—C8—N1	36.61 (16)
C3—C4—C15—C16	−95.2 (2)	C16—C15—C20—C19	1.0 (3)
C5—C4—C15—C20	−42.9 (2)	C4—C15—C20—C19	−178.91 (16)
C3—C4—C15—C20	84.73 (19)	C1—N1—C21—C22	104.26 (19)
C8—N1—C1—O1	177.63 (17)	C8—N1—C21—C22	−63.6 (2)
C21—N1—C1—O1	8.9 (3)	C23—C22—C21—N1	96.9 (2)
C8—N1—C1—C2	−4.52 (19)	C27—C22—C21—N1	−79.0 (2)
C21—N1—C1—C2	−173.27 (15)	C20—C15—C16—C17	−0.5 (3)
C3—C2—C1—O1	−33.0 (3)	C4—C15—C16—C17	179.46 (18)
C7—C2—C1—O1	−154.41 (18)	C15—C20—C19—C18	−1.0 (3)
C3—C2—C1—N1	149.18 (14)	C15—C16—C17—C18	−0.2 (4)
C7—C2—C1—N1	27.81 (16)	C20—C19—C18—C17	0.3 (4)
O4—C25—C26—C27	−179.84 (19)	C16—C17—C18—C19	0.2 (4)
C24—C25—C26—C27	0.8 (3)

D—H···A	D—H	H···A	D···A	D—H···A
C8—H8A···O3i	0.97	2.63	3.239 (2)	122
C28—H28A···O1ii	0.96	2.55	3.242 (2)	129

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C8—H8A⋯O3i	0.97	2.63	3.239 (2)	122
C28—H28A⋯O1ii	0.96	2.55	3.242 (2)	129

Symmetry codes: (i) ; (ii) .