Literature DB >> 22346989

1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate.

Jerry P Jasinski, James A Golen, B P Siddaraju, B Narayana, H S Yathirajan.

Abstract

In the title compound, C(29)H(22)Br(2)O(3), the dihedral angles between the mean planes of the benzene rings within each biphenyl group are 26.7 (8) and 30.9 (8)°. The mean planes of the terminal and inner benzene rings of the biphenyl groups bonded through a propan-1-one group in the V-shaped mol-ecule are oriented at angles of 66.1 (7) and 60.0 (8)°, respectively. The two Br atoms are opposite the propen-1-one group. Weak inter-molecular C-H⋯O and C-H⋯π inter-actions are observed in the crystal structure.

Entities: CellLine Chemical Disease Gene

Year: 2012 PMID： 22346989 PMCID： PMC3275044 DOI： 10.1107/S1600536811056169

Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN： 1600-5368

Related literature

For chalcone derivatives exhibiting non-linear optical effects, see: Indira et al. (2002 ▶); Tam et al. (1989 ▶); Uchida et al. (1998 ▶). For the improvement of molecular first-order hyperpolarizabilities, see: Zhao et al. (2002 ▶). For related dibromo chalcone structures, see: Butcher et al. (2007 ▶); Narayana et al. (2007 ▶); Sarojini et al. (2007 ▶); Yathirajan et al. (2007 ▶); For the synthesis of various chalcone derivatives, see: Samshuddin et al. (2011 ▶); Jasinski et al. (2010 ▶).

Experimental

Crystal data

C29H22Br2O3 M = 578.29 Monoclinic, a = 12.0497 (14) Å b = 20.842 (2) Å c = 9.9482 (10) Å β = 98.743 (10)° V = 2469.4 (5) Å3 Z = 4 Mo Kα radiation μ = 3.31 mm−1 T = 173 K 0.20 × 0.20 × 0.10 mm

Data collection

Oxford Diffraction Xcalibur Eos Gemini diffractometer Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2010 ▶) T min = 0.557, T max = 0.733 22652 measured reflections 5881 independent reflections 3640 reflections with I > 2σ(I) R int = 0.068

Refinement

R[F 2 > 2σ(F 2)] = 0.052 wR(F 2) = 0.130 S = 1.02 5881 reflections 308 parameters H-atom parameters constrained Δρmax = 0.72 e Å−3 Δρmin = −0.59 e Å−3 Data collection: CrysAlis PRO (Oxford Diffraction, 2010 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Oxford Diffraction, 2010 ▶); 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: SHELXTL. Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811056169/tk5043sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811056169/tk5043Isup2.hkl Supplementary material file. DOI: 10.1107/S1600536811056169/tk5043Isup3.cml Additional supplementary materials: crystallographic information; 3D view; checkCIF report

C₂₉H₂₂Br₂O₃	F(000) = 1160
M_r = 578.29	D_x = 1.555 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 2960 reflections
a = 12.0497 (14) Å	θ = 3.0–30.0°
b = 20.842 (2) Å	µ = 3.31 mm⁻¹
c = 9.9482 (10) Å	T = 173 K
β = 98.743 (10)°	Block, colourless
V = 2469.4 (5) Å³	0.20 × 0.20 × 0.10 mm
Z = 4

Oxford Diffraction Xcalibur Eos Gemini diffractometer	5881 independent reflections
Radiation source: Enhance (Mo) X-ray Source	3640 reflections with I > 2σ(I)
graphite	R_int = 0.068
Detector resolution: 16.1500 pixels mm^-1	θ_max = 27.9°, θ_min = 3.0°
ω scans	h = −15→15
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2010)	k = −27→26
T_min = 0.557, T_max = 0.733	l = −13→12
22652 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)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.130	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.053P)² + 0.4853P] where P = (F_o² + 2F_c²)/3
5881 reflections	(Δ/σ)_max = 0.001
308 parameters	Δρ_max = 0.72 e Å⁻³
0 restraints	Δρ_min = −0.59 e Å⁻³

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	U_iso*/U_eq
Br1	0.44982 (4)	0.34440 (2)	0.13153 (5)	0.05921 (17)
Br2	0.42924 (4)	0.46937 (2)	0.31413 (5)	0.05352 (15)
O1	0.1796 (3)	0.28133 (16)	0.4651 (3)	0.0722 (10)
O2	0.3020 (2)	0.28697 (12)	0.3156 (3)	0.0488 (7)
O3	0.1617 (2)	0.39172 (18)	0.2153 (3)	0.0758 (10)
C1	0.1816 (5)	0.1984 (2)	0.2981 (5)	0.0736 (15)
H1A	0.1179	0.1800	0.3354	0.110*
H1B	0.2442	0.1679	0.3100	0.110*
H1C	0.1592	0.2073	0.2010	0.110*
C2	0.2174 (4)	0.2594 (2)	0.3710 (5)	0.0539 (11)
C3	0.3430 (3)	0.34764 (17)	0.3725 (4)	0.0406 (9)
H3A	0.2813	0.3675	0.4151	0.049*
C4	0.3582 (3)	0.38888 (19)	0.2475 (4)	0.0423 (9)
C5	0.2436 (3)	0.4071 (2)	0.1659 (4)	0.0484 (10)
C6	0.2285 (3)	0.44157 (18)	0.0336 (4)	0.0418 (9)
C7	0.3135 (3)	0.46850 (19)	−0.0303 (4)	0.0480 (10)
H7A	0.3894	0.4656	0.0125	0.058*
C8	0.2891 (3)	0.4989 (2)	−0.1532 (4)	0.0496 (10)
H8A	0.3484	0.5168	−0.1939	0.060*
C9	0.1792 (3)	0.50414 (19)	−0.2200 (4)	0.0432 (9)
C10	0.0950 (3)	0.47780 (18)	−0.1548 (4)	0.0454 (10)
H10A	0.0189	0.4809	−0.1969	0.054*
C11	0.1194 (3)	0.44754 (19)	−0.0316 (4)	0.0452 (10)
H11A	0.0599	0.4303	0.0099	0.054*
C12	0.1512 (3)	0.53706 (17)	−0.3519 (4)	0.0435 (9)
C13	0.2239 (4)	0.5370 (2)	−0.4479 (5)	0.0557 (12)
H13A	0.2932	0.5147	−0.4287	0.067*
C14	0.1977 (4)	0.5685 (2)	−0.5701 (5)	0.0600 (12)
H14A	0.2495	0.5680	−0.6332	0.072*
C15	0.0983 (4)	0.6004 (2)	−0.6020 (5)	0.0567 (11)
H15A	0.0810	0.6224	−0.6862	0.068*
C16	0.0235 (4)	0.6000 (2)	−0.5100 (5)	0.0571 (12)
H16A	−0.0467	0.6213	−0.5318	0.069*
C17	0.0496 (4)	0.5689 (2)	−0.3860 (5)	0.0525 (11)
H17A	−0.0027	0.5694	−0.3236	0.063*
C18	0.4403 (3)	0.33835 (17)	0.4820 (4)	0.0380 (9)
C19	0.5332 (3)	0.30086 (19)	0.4645 (4)	0.0485 (10)
H19A	0.5355	0.2805	0.3795	0.058*
C20	0.6214 (3)	0.29298 (19)	0.5683 (4)	0.0470 (10)
H20A	0.6844	0.2683	0.5526	0.056*
C21	0.6208 (3)	0.32024 (17)	0.6958 (4)	0.0392 (9)
C22	0.5258 (3)	0.35519 (19)	0.7145 (4)	0.0463 (10)
H22A	0.5208	0.3729	0.8014	0.056*
C23	0.4388 (3)	0.36451 (19)	0.6088 (4)	0.0453 (10)
H23A	0.3762	0.3897	0.6240	0.054*
C24	0.7180 (3)	0.31323 (18)	0.8042 (4)	0.0417 (9)
C25	0.7914 (4)	0.2617 (2)	0.8065 (5)	0.0554 (11)
H25A	0.7759	0.2287	0.7405	0.066*
C26	0.8855 (4)	0.2576 (2)	0.9022 (5)	0.0634 (13)
H26A	0.9348	0.2222	0.9007	0.076*
C27	0.9099 (4)	0.3037 (3)	0.9998 (5)	0.0687 (14)
H27A	0.9757	0.3007	1.0656	0.082*
C28	0.8380 (4)	0.3540 (2)	1.0011 (5)	0.0645 (13)
H28A	0.8529	0.3857	1.0701	0.077*
C29	0.7442 (4)	0.3597 (2)	0.9043 (5)	0.0527 (11)
H29A	0.6965	0.3959	0.9057	0.063*

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Br1	0.0624 (3)	0.0713 (3)	0.0495 (3)	0.0171 (2)	0.0263 (2)	0.0032 (2)
Br2	0.0479 (3)	0.0544 (3)	0.0586 (3)	−0.0059 (2)	0.0094 (2)	−0.0019 (2)
O1	0.073 (2)	0.095 (2)	0.054 (2)	−0.0222 (19)	0.0280 (18)	−0.0089 (18)
O2	0.0503 (17)	0.0525 (16)	0.0455 (17)	−0.0068 (13)	0.0136 (14)	−0.0048 (13)
O3	0.0397 (17)	0.131 (3)	0.060 (2)	0.0013 (18)	0.0162 (16)	0.032 (2)
C1	0.091 (4)	0.069 (3)	0.060 (3)	−0.025 (3)	0.011 (3)	−0.001 (3)
C2	0.055 (3)	0.067 (3)	0.039 (3)	−0.008 (2)	0.007 (2)	0.007 (2)
C3	0.038 (2)	0.045 (2)	0.040 (2)	−0.0017 (18)	0.0107 (18)	−0.0078 (18)
C4	0.036 (2)	0.056 (2)	0.036 (2)	0.0000 (18)	0.0115 (17)	−0.0035 (18)
C5	0.039 (2)	0.065 (3)	0.043 (3)	−0.001 (2)	0.0129 (19)	−0.001 (2)
C6	0.038 (2)	0.047 (2)	0.042 (2)	−0.0016 (18)	0.0113 (18)	−0.0012 (18)
C7	0.032 (2)	0.061 (3)	0.051 (3)	0.0008 (19)	0.0057 (19)	0.006 (2)
C8	0.040 (2)	0.056 (3)	0.054 (3)	−0.0046 (19)	0.012 (2)	0.006 (2)
C9	0.043 (2)	0.046 (2)	0.042 (2)	−0.0016 (18)	0.0082 (18)	−0.0010 (18)
C10	0.035 (2)	0.054 (2)	0.047 (3)	−0.0046 (18)	0.0057 (19)	−0.0062 (19)
C11	0.038 (2)	0.051 (2)	0.048 (3)	−0.0071 (18)	0.0116 (19)	−0.0028 (19)
C12	0.044 (2)	0.041 (2)	0.047 (3)	0.0001 (18)	0.0087 (19)	0.0019 (18)
C13	0.051 (3)	0.062 (3)	0.057 (3)	0.012 (2)	0.018 (2)	0.015 (2)
C14	0.063 (3)	0.064 (3)	0.058 (3)	0.000 (2)	0.022 (2)	0.014 (2)
C15	0.062 (3)	0.052 (3)	0.053 (3)	−0.004 (2)	0.001 (2)	0.011 (2)
C16	0.051 (3)	0.053 (3)	0.064 (3)	0.008 (2)	0.000 (2)	0.006 (2)
C17	0.046 (3)	0.055 (3)	0.057 (3)	0.002 (2)	0.009 (2)	−0.003 (2)
C18	0.036 (2)	0.045 (2)	0.033 (2)	−0.0052 (17)	0.0063 (17)	−0.0016 (16)
C19	0.055 (3)	0.055 (2)	0.037 (2)	0.006 (2)	0.010 (2)	−0.0086 (19)
C20	0.043 (2)	0.052 (2)	0.047 (3)	0.0102 (19)	0.011 (2)	−0.0024 (19)
C21	0.044 (2)	0.038 (2)	0.037 (2)	−0.0034 (17)	0.0111 (18)	0.0016 (16)
C22	0.055 (3)	0.051 (2)	0.035 (2)	0.001 (2)	0.014 (2)	−0.0062 (18)
C23	0.043 (2)	0.051 (2)	0.044 (3)	0.0053 (18)	0.014 (2)	−0.0031 (19)
C24	0.045 (2)	0.041 (2)	0.039 (2)	−0.0053 (18)	0.0082 (18)	0.0066 (17)
C25	0.066 (3)	0.050 (2)	0.050 (3)	0.004 (2)	0.007 (2)	0.001 (2)
C26	0.056 (3)	0.070 (3)	0.063 (3)	0.012 (2)	0.004 (3)	0.017 (3)
C27	0.064 (3)	0.080 (4)	0.058 (3)	−0.006 (3)	−0.004 (3)	0.016 (3)
C28	0.071 (3)	0.064 (3)	0.054 (3)	−0.013 (3)	−0.005 (3)	−0.005 (2)
C29	0.056 (3)	0.052 (2)	0.049 (3)	−0.003 (2)	0.003 (2)	−0.002 (2)

Br1—C4	1.949 (3)	C14—C15	1.364 (6)
Br2—C4	1.953 (4)	C14—H14A	0.9500
O1—C2	1.192 (5)	C15—C16	1.379 (6)
O2—C2	1.359 (5)	C15—H15A	0.9500
O2—C3	1.441 (4)	C16—C17	1.386 (6)
O3—C5	1.211 (4)	C16—H16A	0.9500
C1—C2	1.493 (6)	C17—H17A	0.9500
C1—H1A	0.9800	C18—C23	1.377 (5)
C1—H1B	0.9800	C18—C19	1.398 (5)
C1—H1C	0.9800	C19—C20	1.374 (6)
C3—C18	1.487 (5)	C19—H19A	0.9500
C3—C4	1.545 (5)	C20—C21	1.391 (5)
C3—H3A	1.0000	C20—H20A	0.9500
C4—C5	1.539 (6)	C21—C22	1.393 (5)
C5—C6	1.486 (6)	C21—C24	1.473 (6)
C6—C11	1.381 (5)	C22—C23	1.381 (6)
C6—C7	1.402 (5)	C22—H22A	0.9500
C7—C8	1.369 (6)	C23—H23A	0.9500
C7—H7A	0.9500	C24—C25	1.389 (6)
C8—C9	1.392 (6)	C24—C29	1.391 (6)
C8—H8A	0.9500	C25—C26	1.368 (6)
C9—C10	1.398 (5)	C25—H25A	0.9500
C9—C12	1.474 (6)	C26—C27	1.365 (7)
C10—C11	1.370 (6)	C26—H26A	0.9500
C10—H10A	0.9500	C27—C28	1.362 (7)
C11—H11A	0.9500	C27—H27A	0.9500
C12—C17	1.389 (6)	C28—C29	1.374 (6)
C12—C13	1.390 (5)	C28—H28A	0.9500
C13—C14	1.375 (6)	C29—H29A	0.9500
C13—H13A	0.9500

C2—O2—C3	116.5 (3)	C15—C14—C13	120.9 (4)
C2—C1—H1A	109.5	C15—C14—H14A	119.5
C2—C1—H1B	109.5	C13—C14—H14A	119.5
H1A—C1—H1B	109.5	C14—C15—C16	118.8 (4)
C2—C1—H1C	109.5	C14—C15—H15A	120.6
H1A—C1—H1C	109.5	C16—C15—H15A	120.6
H1B—C1—H1C	109.5	C15—C16—C17	120.7 (4)
O1—C2—O2	123.7 (4)	C15—C16—H16A	119.7
O1—C2—C1	126.3 (4)	C17—C16—H16A	119.7
O2—C2—C1	110.0 (4)	C16—C17—C12	120.9 (4)
O2—C3—C18	111.0 (3)	C16—C17—H17A	119.6
O2—C3—C4	104.4 (3)	C12—C17—H17A	119.6
C18—C3—C4	119.0 (3)	C23—C18—C19	117.2 (4)
O2—C3—H3A	107.3	C23—C18—C3	120.1 (3)
C18—C3—H3A	107.3	C19—C18—C3	122.6 (3)
C4—C3—H3A	107.3	C20—C19—C18	121.0 (4)
C5—C4—C3	110.8 (3)	C20—C19—H19A	119.5
C5—C4—Br1	110.4 (3)	C18—C19—H19A	119.5
C3—C4—Br1	111.0 (3)	C19—C20—C21	121.7 (4)
C5—C4—Br2	106.2 (3)	C19—C20—H20A	119.1
C3—C4—Br2	107.7 (3)	C21—C20—H20A	119.1
Br1—C4—Br2	110.53 (17)	C20—C21—C22	117.0 (4)
O3—C5—C6	119.3 (4)	C20—C21—C24	120.9 (3)
O3—C5—C4	116.2 (4)	C22—C21—C24	122.1 (4)
C6—C5—C4	124.5 (3)	C23—C22—C21	121.1 (4)
C11—C6—C7	117.4 (4)	C23—C22—H22A	119.5
C11—C6—C5	116.0 (3)	C21—C22—H22A	119.5
C7—C6—C5	126.6 (4)	C18—C23—C22	121.9 (4)
C8—C7—C6	121.2 (4)	C18—C23—H23A	119.1
C8—C7—H7A	119.4	C22—C23—H23A	119.1
C6—C7—H7A	119.4	C25—C24—C29	116.9 (4)
C7—C8—C9	121.5 (4)	C25—C24—C21	121.4 (4)
C7—C8—H8A	119.3	C29—C24—C21	121.6 (4)
C9—C8—H8A	119.3	C26—C25—C24	121.2 (4)
C8—C9—C10	116.9 (4)	C26—C25—H25A	119.4
C8—C9—C12	122.3 (3)	C24—C25—H25A	119.4
C10—C9—C12	120.8 (4)	C27—C26—C25	121.2 (5)
C11—C10—C9	121.6 (4)	C27—C26—H26A	119.4
C11—C10—H10A	119.2	C25—C26—H26A	119.4
C9—C10—H10A	119.2	C28—C27—C26	118.7 (5)
C10—C11—C6	121.4 (4)	C28—C27—H27A	120.7
C10—C11—H11A	119.3	C26—C27—H27A	120.7
C6—C11—H11A	119.3	C27—C28—C29	121.1 (5)
C17—C12—C13	117.1 (4)	C27—C28—H28A	119.5
C17—C12—C9	120.9 (4)	C29—C28—H28A	119.5
C13—C12—C9	121.9 (4)	C28—C29—C24	121.0 (4)
C14—C13—C12	121.5 (4)	C28—C29—H29A	119.5
C14—C13—H13A	119.2	C24—C29—H29A	119.5
C12—C13—H13A	119.2

C3—O2—C2—O1	−2.8 (6)	C17—C12—C13—C14	1.6 (7)
C3—O2—C2—C1	177.9 (4)	C9—C12—C13—C14	−179.2 (4)
C2—O2—C3—C18	93.1 (4)	C12—C13—C14—C15	−0.8 (7)
C2—O2—C3—C4	−137.5 (3)	C13—C14—C15—C16	−0.7 (7)
O2—C3—C4—C5	70.3 (4)	C14—C15—C16—C17	1.3 (7)
C18—C3—C4—C5	−165.3 (3)	C15—C16—C17—C12	−0.4 (7)
O2—C3—C4—Br1	−52.7 (3)	C13—C12—C17—C16	−1.0 (6)
C18—C3—C4—Br1	71.7 (4)	C9—C12—C17—C16	179.8 (4)
O2—C3—C4—Br2	−173.9 (2)	O2—C3—C18—C23	−126.1 (4)
C18—C3—C4—Br2	−49.5 (4)	C4—C3—C18—C23	112.8 (4)
C3—C4—C5—O3	5.7 (5)	O2—C3—C18—C19	50.6 (5)
Br1—C4—C5—O3	129.2 (4)	C4—C3—C18—C19	−70.5 (5)
Br2—C4—C5—O3	−111.0 (4)	C23—C18—C19—C20	−2.8 (6)
C3—C4—C5—C6	−174.3 (3)	C3—C18—C19—C20	−179.5 (4)
Br1—C4—C5—C6	−50.9 (5)	C18—C19—C20—C21	1.9 (6)
Br2—C4—C5—C6	69.0 (4)	C19—C20—C21—C22	1.0 (6)
O3—C5—C6—C11	−6.8 (6)	C19—C20—C21—C24	−177.7 (4)
C4—C5—C6—C11	173.2 (4)	C20—C21—C22—C23	−2.8 (6)
O3—C5—C6—C7	172.9 (4)	C24—C21—C22—C23	175.8 (4)
C4—C5—C6—C7	−7.1 (6)	C19—C18—C23—C22	0.9 (6)
C11—C6—C7—C8	−0.7 (6)	C3—C18—C23—C22	177.8 (4)
C5—C6—C7—C8	179.6 (4)	C21—C22—C23—C18	1.9 (6)
C6—C7—C8—C9	−0.3 (6)	C20—C21—C24—C25	−25.7 (5)
C7—C8—C9—C10	1.0 (6)	C22—C21—C24—C25	155.7 (4)
C7—C8—C9—C12	179.6 (4)	C20—C21—C24—C29	150.5 (4)
C8—C9—C10—C11	−0.7 (6)	C22—C21—C24—C29	−28.1 (5)
C12—C9—C10—C11	−179.4 (4)	C29—C24—C25—C26	−0.8 (6)
C9—C10—C11—C6	−0.2 (6)	C21—C24—C25—C26	175.6 (4)
C7—C6—C11—C10	0.9 (6)	C24—C25—C26—C27	0.9 (7)
C5—C6—C11—C10	−179.4 (4)	C25—C26—C27—C28	0.4 (7)
C8—C9—C12—C17	−148.5 (4)	C26—C27—C28—C29	−1.8 (7)
C10—C9—C12—C17	30.1 (6)	C27—C28—C29—C24	1.9 (7)
C8—C9—C12—C13	32.3 (6)	C25—C24—C29—C28	−0.6 (6)
C10—C9—C12—C13	−149.1 (4)	C21—C24—C29—C28	−177.0 (4)

Cg4 is the centroid of the C24–C29 ring.

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1C···O1ⁱ	0.98	2.41	3.336 (6)	158
C17—H17A···O3ⁱⁱ	0.95	2.47	3.369 (5)	158
C20—H20A···Cg4ⁱⁱⁱ	0.95	2.82	3.707 (4)	157

Table 1

Hydrogen-bond geometry (Å, °)

Cg4 is the centroid of the C24–C29 ring.

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1C⋯O1ⁱ	0.98	2.41	3.336 (6)	158
C17—H17A⋯O3ⁱⁱ	0.95	2.47	3.369 (5)	158
C20—H20A⋯Cg4ⁱⁱⁱ	0.95	2.82	3.707 (4)	157

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

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