(3R,3aR,6R,6aR)-Hexa-hydro-furo[3,2-b]furan-3,6-diyl dibenzoate.

The title compound, C20H18O6, prepared from d-mannitol by a two-step procedure, is a functionalized fused bis-tetra-hydro-furan. In the central fragment, consisting of two fused tetra-hydro-furan rings, one O atom and its two adjacent C atoms, a methyl-ene and a bridgehead C atom, are disordered over two sets of sites with an occupancy ratio of 0.735 (9):0.265 (9). In the major component, the ring containing the disordered O atom is a half-chair conformation with twisted methylene and benzoate-substituted C atoms, whereas the other ring has a half-chair or T-form conformation. In the minor component, the ring with the disordered O atom has an envelope conformation, with the O atom as the flap, and the other ring has a half-chair conformation, with the O atom and the other bridgehead CH atom being twisted. The two aromatic rings are inclined to one another by 20.00 (12)°. In the crystal, adjacent molecules are linked via C-H⋯π interactions, forming chains propagating along [010].

Related literature

For the use of carbohydrates in the synthesis of complex natural chiral substances, see: Hanessian (1993 ▶). For mannitol as a chiral reagent and for its biologically active derivatives, see: Babjak et al. (2002 ▶); Masaki et al. (1999 ▶); Lohray et al. (1999 ▶). For oxidative processes mediated by transition of oxo-species, see: Piccialli, Oliviero et al. (2013 ▶); Piccialli, Tuzi et al. (2013 ▶); Piccialli, D’Errico et al. (2013 ▶); Piccialli et al. (2012 ▶). For the synthesis of the title compound, see: Hockett et al. (1946 ▶).

Experimental

Crystal data

C20H18O6

M = 354.34

Monoclinic,

a = 10.0914 (15) Å

b = 8.2388 (11) Å

c = 10.7592 (10) Å

β = 108.913 (10)°

V = 846.24 (19) Å3

Z = 2

Mo Kα radiation

μ = 0.10 mm−1

T = 173 K

0.50 × 0.20 × 0.10 mm

Data collection

Bruker–Nonius KappaCCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.950, T max = 0.990

7903 measured reflections

2059 independent reflections

1757 reflections with I > 2σ(I)

R int = 0.033

Refinement

R[F 2 > 2σ(F 2)] = 0.035

wR(F 2) = 0.073

S = 1.11

2059 reflections

263 parameters

12 restraints

H-atom parameters constrained

Δρmax = 0.14 e Å−3

Δρmin = −0.20 e Å−3

Data collection: COLLECT (Nonius, 1999 ▶); cell refinement: DIRAX/LSQ (Duisenberg et al., 2000 ▶); data reduction: EVALCCD (Duisenberg et al., 2003 ▶); program(s) used to solve structure: SIR97 (Altomare et al., 1999 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012 ▶); software used to prepare material for publication: WinGX (Farrugia, 2012 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813021612/yk2098sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813021612/yk2098Isup2.hkl

Click here for additional data file.

Supplementary material file. DOI: 10.1107/S1600536813021612/yk2098Isup3.cml

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

C20H18O6	F(000) = 372
Mr = 354.34	Dx = 1.391 Mg m−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2yb	Cell parameters from 446 reflections
a = 10.0914 (15) Å	θ = 3.8–23.5°
b = 8.2388 (11) Å	µ = 0.10 mm−1
c = 10.7592 (10) Å	T = 173 K
β = 108.913 (10)°	Block, white
V = 846.24 (19) Å3	0.50 × 0.20 × 0.10 mm
Z = 2

Bruker–Nonius KappaCCD diffractometer	2059 independent reflections
Radiation source: normal-focus sealed tube	1757 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.033
Detector resolution: 9 pixels mm-1	θmax = 27.5°, θmin = 3.2°
CCD rotation images, thick slices scans	h = −12→13
Absorption correction: multi-scan (SADABS; Bruker, 2001)	k = −10→9
Tmin = 0.950, Tmax = 0.990	l = −13→13
7903 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)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.073	H-atom parameters constrained
S = 1.11	w = 1/[σ2(Fo2) + (0.0287P)2 + 0.1292P] where P = (Fo2 + 2Fc2)/3
2059 reflections	(Δ/σ)max = 0.001
263 parameters	Δρmax = 0.14 e Å−3
12 restraints	Δρmin = −0.20 e Å−3

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 > 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)
O1	0.64835 (16)	0.0655 (2)	0.86046 (14)	0.0337 (4)
O3	0.77544 (15)	0.3383 (2)	0.73544 (16)	0.0351 (4)
O4	0.68459 (17)	0.4767 (2)	0.54748 (17)	0.0449 (5)
O5	0.69994 (15)	−0.22410 (18)	0.78559 (13)	0.0282 (3)
O6	0.51687 (15)	−0.2810 (2)	0.85248 (15)	0.0385 (4)
C1	0.6475 (3)	0.2374 (3)	0.8702 (2)	0.0381 (6)
H1A	0.7348	0.2762	0.9366	0.046*
H1B	0.5668	0.2741	0.8961	0.046*
C2	0.6365 (2)	0.3022 (3)	0.7353 (2)	0.0322 (5)
H2	0.5777	0.4027	0.7162	0.039*
C4	0.5552 (2)	0.0247 (3)	0.73299 (19)	0.0252 (4)
H4	0.4576	0.0078	0.7343	0.030*
C5	0.6094 (2)	−0.1245 (3)	0.68230 (19)	0.0267 (5)
H5	0.5316	−0.1890	0.6207	0.032*
C7	0.7845 (2)	0.4329 (3)	0.6365 (2)	0.0305 (5)
C8	0.9319 (2)	0.4765 (3)	0.6514 (2)	0.0278 (4)
C9	0.9560 (2)	0.5661 (3)	0.5518 (2)	0.0339 (5)
H9	0.8800	0.5972	0.4769	0.041*
C10	1.0912 (3)	0.6098 (3)	0.5623 (2)	0.0422 (6)
H10	1.1082	0.6704	0.4938	0.051*
C11	1.2014 (3)	0.5664 (3)	0.6708 (3)	0.0436 (6)
H11	1.2941	0.5973	0.6774	0.052*
C12	1.1774 (2)	0.4781 (4)	0.7702 (3)	0.0459 (6)
H12	1.2537	0.4490	0.8456	0.055*
C13	1.0429 (2)	0.4318 (3)	0.7606 (2)	0.0362 (6)
H13	1.0266	0.3696	0.8286	0.043*
C14	0.6400 (2)	−0.2914 (3)	0.8676 (2)	0.0277 (5)
C15	0.7421 (2)	−0.3791 (3)	0.97809 (19)	0.0271 (5)
C16	0.6933 (2)	−0.4500 (3)	1.0721 (2)	0.0301 (5)
H16	0.5982	−0.4367	1.0668	0.036*
C17	0.7827 (2)	−0.5397 (3)	1.1732 (2)	0.0355 (5)
H17	0.7489	−0.5880	1.2373	0.043*
C18	0.9210 (3)	−0.5593 (3)	1.1812 (2)	0.0391 (6)
H18	0.9822	−0.6218	1.2503	0.047*
C19	0.9706 (2)	−0.4876 (3)	1.0884 (2)	0.0381 (6)
H19	1.0660	−0.5003	1.0945	0.046*
C20	0.8815 (2)	−0.3974 (3)	0.9868 (2)	0.0302 (5)
H20	0.9157	−0.3483	0.9234	0.036*
C3A	0.5619 (7)	0.1641 (7)	0.6404 (6)	0.0262 (11)	0.735 (9)
H3A	0.4650	0.1986	0.5873	0.031*	0.735 (9)
C6A	0.7006 (7)	−0.0439 (7)	0.6118 (7)	0.0287 (14)	0.735 (9)
H6A	0.7949	−0.0213	0.6745	0.034*	0.735 (9)
H6B	0.7108	−0.1161	0.5419	0.034*	0.735 (9)
O2A	0.6338 (4)	0.1033 (3)	0.5563 (3)	0.0297 (9)	0.735 (9)
C3B	0.5953 (15)	0.150 (2)	0.650 (2)	0.040 (6)	0.265 (9)
H3B	0.5162	0.1724	0.5676	0.048*	0.265 (9)
C6B	0.687 (2)	−0.0796 (14)	0.587 (2)	0.039 (6)	0.265 (9)
H6C	0.7746	−0.1422	0.6041	0.047*	0.265 (9)
H6D	0.6276	−0.0933	0.4946	0.047*	0.265 (9)
O2B	0.7130 (10)	0.0860 (10)	0.6220 (9)	0.032 (3)	0.265 (9)

	U11	U22	U33	U12	U13	U23
O1	0.0432 (9)	0.0322 (9)	0.0240 (7)	−0.0038 (7)	0.0085 (6)	−0.0056 (7)
O3	0.0256 (8)	0.0375 (9)	0.0432 (9)	−0.0012 (7)	0.0124 (7)	0.0140 (8)
O4	0.0315 (9)	0.0482 (11)	0.0457 (9)	−0.0019 (8)	−0.0005 (7)	0.0154 (9)
O5	0.0292 (7)	0.0308 (8)	0.0247 (7)	0.0038 (6)	0.0089 (6)	0.0030 (6)
O6	0.0261 (8)	0.0441 (10)	0.0437 (9)	−0.0019 (8)	0.0090 (7)	0.0120 (8)
C1	0.0452 (14)	0.0340 (14)	0.0420 (13)	−0.0139 (11)	0.0237 (11)	−0.0139 (11)
C2	0.0268 (11)	0.0274 (12)	0.0467 (13)	−0.0037 (9)	0.0177 (10)	−0.0038 (11)
C4	0.0222 (10)	0.0274 (11)	0.0261 (10)	−0.0028 (8)	0.0080 (8)	−0.0003 (9)
C5	0.0280 (11)	0.0297 (12)	0.0200 (9)	0.0010 (9)	0.0045 (8)	0.0010 (9)
C7	0.0305 (11)	0.0249 (12)	0.0346 (11)	−0.0017 (9)	0.0087 (9)	0.0018 (10)
C8	0.0292 (10)	0.0259 (11)	0.0286 (10)	−0.0026 (9)	0.0097 (8)	−0.0005 (9)
C9	0.0425 (13)	0.0308 (13)	0.0302 (11)	−0.0025 (11)	0.0140 (10)	0.0022 (10)
C10	0.0555 (15)	0.0351 (14)	0.0491 (14)	−0.0068 (12)	0.0349 (13)	0.0006 (12)
C11	0.0352 (13)	0.0444 (15)	0.0590 (15)	−0.0105 (12)	0.0260 (12)	−0.0118 (14)
C12	0.0294 (12)	0.0591 (18)	0.0469 (14)	−0.0013 (13)	0.0090 (10)	−0.0015 (14)
C13	0.0303 (11)	0.0452 (15)	0.0331 (11)	−0.0011 (11)	0.0103 (9)	0.0079 (11)
C14	0.0308 (11)	0.0235 (11)	0.0280 (10)	−0.0030 (9)	0.0087 (9)	−0.0030 (9)
C15	0.0299 (10)	0.0233 (11)	0.0270 (10)	−0.0002 (9)	0.0076 (8)	−0.0037 (9)
C16	0.0302 (11)	0.0302 (12)	0.0317 (11)	0.0038 (10)	0.0125 (9)	−0.0014 (10)
C17	0.0407 (13)	0.0367 (13)	0.0325 (11)	0.0058 (11)	0.0164 (10)	0.0058 (11)
C18	0.0381 (13)	0.0402 (15)	0.0364 (12)	0.0090 (11)	0.0084 (10)	0.0104 (11)
C19	0.0287 (12)	0.0403 (14)	0.0446 (13)	0.0046 (10)	0.0108 (10)	0.0031 (12)
C20	0.0300 (11)	0.0297 (12)	0.0314 (10)	−0.0010 (9)	0.0107 (9)	0.0004 (10)
C3A	0.027 (2)	0.025 (2)	0.028 (2)	0.0013 (19)	0.012 (2)	0.0032 (17)
C6A	0.034 (2)	0.034 (3)	0.021 (3)	0.009 (2)	0.0130 (18)	0.000 (2)
O2A	0.0313 (19)	0.0332 (13)	0.0277 (15)	0.0016 (10)	0.0137 (15)	0.0044 (10)
C3B	0.041 (7)	0.036 (7)	0.041 (7)	0.006 (4)	0.010 (5)	0.002 (4)
C6B	0.068 (11)	0.029 (7)	0.024 (8)	0.006 (6)	0.020 (7)	−0.009 (6)
O2B	0.026 (5)	0.040 (5)	0.033 (5)	0.001 (3)	0.014 (4)	−0.001 (3)

O1—C1	1.421 (3)	C11—C12	1.378 (4)
O1—C4	1.429 (2)	C11—H11	0.9500
O3—C7	1.345 (3)	C12—C13	1.381 (3)
O3—C2	1.433 (2)	C12—H12	0.9500
O4—C7	1.199 (3)	C13—H13	0.9500
O5—C14	1.341 (3)	C14—C15	1.485 (3)
O5—C5	1.444 (2)	C15—C20	1.387 (3)
O6—C14	1.203 (3)	C15—C16	1.389 (3)
C1—C2	1.516 (3)	C16—C17	1.381 (3)
C1—H1A	0.9900	C16—H16	0.9500
C1—H1B	0.9900	C17—C18	1.379 (3)
C2—C3B	1.530 (13)	C17—H17	0.9500
C2—C3A	1.551 (5)	C18—C19	1.386 (3)
C2—H2	1.0000	C18—H18	0.9500
C4—C3B	1.50 (2)	C19—C20	1.384 (3)
C4—C5	1.516 (3)	C19—H19	0.9500
C4—C3A	1.536 (7)	C20—H20	0.9500
C4—H4	1.0000	C3A—O2A	1.422 (5)
C5—C6B	1.520 (6)	C3A—H3A	1.0000
C5—C6A	1.522 (4)	C6A—O2A	1.421 (6)
C5—H5	1.0000	C6A—H6A	0.9900
C7—C8	1.489 (3)	C6A—H6B	0.9900
C8—C13	1.385 (3)	C3B—O2B	1.418 (9)
C8—C9	1.386 (3)	C3B—H3B	1.0000
C9—C10	1.380 (3)	C6B—O2B	1.416 (10)
C9—H9	0.9500	C6B—H6C	0.9900
C10—C11	1.373 (4)	C6B—H6D	0.9900
C10—H10	0.9500
C1—O1—C4	106.71 (18)	C11—C12—H12	119.9
C7—O3—C2	115.89 (17)	C13—C12—H12	119.9
C14—O5—C5	115.68 (16)	C12—C13—C8	119.7 (2)
O1—C1—C2	106.30 (19)	C12—C13—H13	120.2
O1—C1—H1A	110.5	C8—C13—H13	120.2
C2—C1—H1A	110.5	O6—C14—O5	123.3 (2)
O1—C1—H1B	110.5	O6—C14—C15	124.1 (2)
C2—C1—H1B	110.5	O5—C14—C15	112.60 (17)
H1A—C1—H1B	108.7	C20—C15—C16	119.72 (19)
O3—C2—C1	107.69 (19)	C20—C15—C14	122.18 (19)
O3—C2—C3B	104.2 (5)	C16—C15—C14	118.04 (18)
C1—C2—C3B	101.9 (10)	C17—C16—C15	120.2 (2)
O3—C2—C3A	114.8 (3)	C17—C16—H16	119.9
C1—C2—C3A	104.0 (3)	C15—C16—H16	119.9
O3—C2—H2	110.1	C18—C17—C16	120.0 (2)
C1—C2—H2	110.1	C18—C17—H17	120.0
C3B—C2—H2	121.9	C16—C17—H17	120.0
C3A—C2—H2	110.1	C17—C18—C19	120.0 (2)
O1—C4—C3B	100.9 (7)	C17—C18—H18	120.0
O1—C4—C5	109.53 (17)	C19—C18—H18	120.0
C3B—C4—C5	98.3 (4)	C20—C19—C18	120.2 (2)
O1—C4—C3A	107.1 (3)	C20—C19—H19	119.9
C5—C4—C3A	106.0 (2)	C18—C19—H19	119.9
O1—C4—H4	111.3	C19—C20—C15	119.8 (2)
C3B—C4—H4	124.1	C19—C20—H20	120.1
C5—C4—H4	111.3	C15—C20—H20	120.1
C3A—C4—H4	111.3	O2A—C3A—C4	106.7 (4)
O5—C5—C4	113.31 (16)	O2A—C3A—C2	116.0 (4)
O5—C5—C6B	108.7 (9)	C4—C3A—C2	103.6 (4)
C4—C5—C6B	111.6 (5)	O2A—C3A—H3A	110.1
O5—C5—C6A	107.3 (3)	C4—C3A—H3A	110.1
C4—C5—C6A	99.9 (3)	C2—C3A—H3A	110.1
O5—C5—H5	111.9	O2A—C6A—C5	107.5 (3)
C4—C5—H5	111.9	O2A—C6A—H6A	110.2
C6B—C5—H5	98.5	C5—C6A—H6A	110.2
C6A—C5—H5	111.9	O2A—C6A—H6B	110.2
O4—C7—O3	123.5 (2)	C5—C6A—H6B	110.2
O4—C7—C8	124.4 (2)	H6A—C6A—H6B	108.5
O3—C7—C8	112.14 (18)	C6A—O2A—C3A	107.7 (4)
C13—C8—C9	120.1 (2)	O2B—C3B—C4	106.1 (13)
C13—C8—C7	122.15 (19)	O2B—C3B—C2	110.4 (9)
C9—C8—C7	117.73 (19)	C4—C3B—C2	106.3 (13)
C10—C9—C8	119.5 (2)	O2B—C3B—H3B	111.3
C10—C9—H9	120.3	C4—C3B—H3B	111.3
C8—C9—H9	120.3	C2—C3B—H3B	111.3
C11—C10—C9	120.6 (2)	O2B—C6B—C5	98.6 (6)
C11—C10—H10	119.7	O2B—C6B—H6C	112.0
C9—C10—H10	119.7	C5—C6B—H6C	112.0
C10—C11—C12	120.0 (2)	O2B—C6B—H6D	112.0
C10—C11—H11	120.0	C5—C6B—H6D	112.0
C12—C11—H11	120.0	H6C—C6B—H6D	109.7
C11—C12—C13	120.2 (2)	C6B—O2B—C3B	108.5 (8)
C4—O1—C1—C2	−36.6 (2)	C14—C15—C16—C17	176.8 (2)
C7—O3—C2—C1	−164.35 (19)	C15—C16—C17—C18	0.0 (4)
C7—O3—C2—C3B	87.9 (10)	C16—C17—C18—C19	0.6 (4)
C7—O3—C2—C3A	80.4 (4)	C17—C18—C19—C20	−0.6 (4)
O1—C1—C2—O3	−95.8 (2)	C18—C19—C20—C15	−0.1 (4)
O1—C1—C2—C3B	13.5 (5)	C16—C15—C20—C19	0.7 (3)
O1—C1—C2—C3A	26.3 (3)	C14—C15—C20—C19	−176.7 (2)
C1—O1—C4—C3B	43.2 (4)	O1—C4—C3A—O2A	108.9 (3)
C1—O1—C4—C5	146.16 (18)	C3B—C4—C3A—O2A	46 (3)
C1—O1—C4—C3A	31.6 (3)	C5—C4—C3A—O2A	−8.0 (4)
C14—O5—C5—C4	63.8 (2)	O1—C4—C3A—C2	−14.1 (4)
C14—O5—C5—C6B	−171.5 (7)	C3B—C4—C3A—C2	−77 (3)
C14—O5—C5—C6A	173.1 (3)	C5—C4—C3A—C2	−130.9 (3)
O1—C4—C5—O5	23.7 (2)	O3—C2—C3A—O2A	−6.4 (6)
C3B—C4—C5—O5	128.4 (7)	C1—C2—C3A—O2A	−123.8 (4)
C3A—C4—C5—O5	138.9 (3)	C3B—C2—C3A—O2A	−42 (5)
O1—C4—C5—C6B	−99.4 (11)	O3—C2—C3A—C4	110.2 (3)
C3B—C4—C5—C6B	5.3 (13)	C1—C2—C3A—C4	−7.2 (4)
C3A—C4—C5—C6B	15.8 (11)	C3B—C2—C3A—C4	75 (5)
O1—C4—C5—C6A	−90.2 (3)	O5—C5—C6A—O2A	−153.4 (4)
C3B—C4—C5—C6A	14.6 (8)	C4—C5—C6A—O2A	−35.0 (6)
C3A—C4—C5—C6A	25.0 (4)	C6B—C5—C6A—O2A	109 (5)
C2—O3—C7—O4	−5.1 (3)	C5—C6A—O2A—C3A	32.0 (7)
C2—O3—C7—C8	174.68 (19)	C4—C3A—O2A—C6A	−14.5 (6)
O4—C7—C8—C13	175.5 (2)	C2—C3A—O2A—C6A	100.3 (6)
O3—C7—C8—C13	−4.2 (3)	O1—C4—C3B—O2B	84.2 (10)
O4—C7—C8—C9	−3.9 (3)	C5—C4—C3B—O2B	−27.7 (11)
O3—C7—C8—C9	176.4 (2)	C3A—C4—C3B—O2B	−156 (4)
C13—C8—C9—C10	0.2 (4)	O1—C4—C3B—C2	−33.4 (9)
C7—C8—C9—C10	179.6 (2)	C5—C4—C3B—C2	−145.2 (7)
C8—C9—C10—C11	−0.6 (4)	C3A—C4—C3B—C2	87 (3)
C9—C10—C11—C12	0.2 (4)	O3—C2—C3B—O2B	9.7 (18)
C10—C11—C12—C13	0.5 (4)	C1—C2—C3B—O2B	−102.2 (15)
C11—C12—C13—C8	−0.9 (4)	C3A—C2—C3B—O2B	157 (7)
C9—C8—C13—C12	0.5 (4)	O3—C2—C3B—C4	124.4 (6)
C7—C8—C13—C12	−178.9 (2)	C1—C2—C3B—C4	12.4 (9)
C5—O5—C14—O6	5.3 (3)	C3A—C2—C3B—C4	−88 (5)
C5—O5—C14—C15	−174.67 (17)	O5—C5—C6B—O2B	−107.4 (12)
O6—C14—C15—C20	175.5 (2)	C4—C5—C6B—O2B	18.3 (17)
O5—C14—C15—C20	−4.5 (3)	C6A—C5—C6B—O2B	−20 (3)
O6—C14—C15—C16	−1.9 (3)	C5—C6B—O2B—C3B	−37 (2)
O5—C14—C15—C16	178.10 (19)	C4—C3B—O2B—C6B	44.0 (17)
C20—C15—C16—C17	−0.6 (3)	C2—C3B—O2B—C6B	158.7 (14)

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1A···Cgi	0.99	2.60	3.419 (3)	149

Table 1

Hydrogen-bond geometry (Å, °)

Cg is the centroid of the C15–C20 ring.

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1A⋯Cg i	0.99	2.60	3.419 (3)	149

Symmetry code: (i) .