4-Nitro-phenyl 2-methyl-benzoate.

The title compound, C(14)H(11)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The major conformational difference between these two mol-ecules is the dihedral angle between the aromatic rings, namely 36.99 (5) and 55.04 (5)°. The nitro groups are coplanar with the phenyl rings to which they are attached, the O-N-C-C torsion angles being -1.9 (3) and 1.0 (3)° in the two mol-ecules.

Related literature

For background to the applications of aromatic esters containing nitro groups in their aromatic rings, see: Jefford & Zaslona (1985 ▶); Jefford et al. (1986 ▶); Schauble et al. (1971 ▶). For related structures, see: Adams & Morsi (1976 ▶); Shibakami & Sekiya (1995 ▶).

Experimental

Crystal data

C14H11NO4

M = 257.24

Orthorhombic,

a = 11.4748 (7) Å

b = 14.3608 (8) Å

c = 14.5944 (9) Å

V = 2405.0 (2) Å3

Z = 8

Mo Kα radiation

μ = 0.11 mm−1

T = 173 K

0.48 × 0.43 × 0.42 mm

Data collection

Stoe IPDS II two-circle diffractometer

Absorption correction: none

8396 measured reflections

2536 independent reflections

2233 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.032

wR(F 2) = 0.081

S = 1.00

2536 reflections

346 parameters

H-atom parameters constrained

Δρmax = 0.19 e Å−3

Δρmin = −0.16 e Å−3

Data collection: X-AREA (Stoe & Cie, 2001 ▶); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809046005/pv2221sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809046005/pv2221Isup2.hkl

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

C14H11NO4	F(000) = 1072
Mr = 257.24	Dx = 1.421 Mg m−3
Orthorhombic, P212121	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 7991 reflections
a = 11.4748 (7) Å	θ = 3.4–25.9°
b = 14.3608 (8) Å	µ = 0.11 mm−1
c = 14.5944 (9) Å	T = 173 K
V = 2405.0 (2) Å3	Block, colourless
Z = 8	0.48 × 0.43 × 0.42 mm

Stoe IPDS II two-circle diffractometer	2233 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.032
graphite	θmax = 25.6°, θmin = 3.4°
ω scans	h = −13→11
8396 measured reflections	k = −17→16
2536 independent reflections	l = −17→15

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)] = 0.032	H-atom parameters constrained
wR(F2) = 0.081	w = 1/[σ2(Fo2) + (0.0582P)2] where P = (Fo2 + 2Fc2)/3
S = 1.00	(Δ/σ)max < 0.001
2536 reflections	Δρmax = 0.19 e Å−3
346 parameters	Δρmin = −0.16 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: 0.0029 (6)

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
O1	0.16002 (13)	0.61145 (10)	0.13451 (12)	0.0313 (4)
O2	−0.01252 (14)	0.62719 (11)	0.06228 (12)	0.0350 (4)
O3	0.20623 (17)	0.17957 (12)	0.15433 (18)	0.0603 (6)
O4	0.04224 (17)	0.19478 (12)	0.22316 (14)	0.0484 (5)
N1	0.12619 (18)	0.22748 (13)	0.18336 (14)	0.0330 (5)
C1	0.07279 (19)	0.66283 (14)	0.09413 (15)	0.0252 (4)
C2	0.14470 (18)	0.51564 (14)	0.14478 (14)	0.0257 (5)
C3	0.0478 (2)	0.47887 (15)	0.18780 (15)	0.0279 (5)
H3	−0.0134	0.5184	0.2081	0.033*
C4	0.04139 (19)	0.38314 (15)	0.20091 (15)	0.0269 (5)
H4	−0.0242	0.3559	0.2303	0.032*
C5	0.13290 (19)	0.32834 (15)	0.17014 (15)	0.0262 (5)
C6	0.23122 (19)	0.36492 (15)	0.12783 (15)	0.0276 (5)
H6	0.2929	0.3257	0.1080	0.033*
C7	0.23633 (19)	0.46020 (15)	0.11547 (15)	0.0276 (5)
H7	0.3024	0.4876	0.0870	0.033*
C11	0.10142 (19)	0.76401 (15)	0.09643 (15)	0.0257 (4)
C12	0.0246 (2)	0.82974 (15)	0.05781 (15)	0.0289 (5)
C13	0.0559 (2)	0.92345 (16)	0.06402 (16)	0.0356 (5)
H13	0.0054	0.9692	0.0389	0.043*
C14	0.1581 (3)	0.95161 (16)	0.10555 (17)	0.0398 (6)
H14	0.1767	1.0160	0.1088	0.048*
C15	0.2334 (2)	0.88691 (17)	0.14233 (17)	0.0389 (6)
H15	0.3043	0.9062	0.1701	0.047*
C16	0.2045 (2)	0.79333 (16)	0.13842 (16)	0.0319 (5)
H16	0.2554	0.7485	0.1646	0.038*
C17	−0.0882 (2)	0.80479 (18)	0.01122 (19)	0.0397 (6)
H17A	−0.1438	0.7815	0.0568	0.059*
H17B	−0.0738	0.7564	−0.0348	0.059*
H17C	−0.1205	0.8602	−0.0187	0.059*
O1A	0.17914 (14)	0.15192 (10)	0.86948 (12)	0.0341 (4)
O2A	0.02001 (17)	0.18630 (13)	0.95339 (14)	0.0502 (5)
O3A	−0.00192 (18)	−0.24935 (12)	0.77876 (14)	0.0505 (5)
O4A	0.16863 (19)	−0.28107 (13)	0.83276 (17)	0.0582 (6)
N1A	0.09144 (18)	−0.22567 (13)	0.81235 (14)	0.0338 (5)
C1A	0.1056 (2)	0.21228 (16)	0.91421 (16)	0.0323 (5)
C2A	0.15008 (19)	0.05831 (15)	0.86021 (15)	0.0275 (5)
C3A	0.0438 (2)	0.03078 (15)	0.82310 (16)	0.0290 (5)
H3A	−0.0143	0.0755	0.8086	0.035*
C4A	0.0245 (2)	−0.06321 (15)	0.80779 (14)	0.0290 (5)
H4A	−0.0475	−0.0842	0.7831	0.035*
C5A	0.1119 (2)	−0.12599 (15)	0.82913 (15)	0.0273 (5)
C6A	0.2179 (2)	−0.09892 (16)	0.86513 (16)	0.0309 (5)
H6A	0.2764	−0.1436	0.8788	0.037*
C7A	0.23671 (19)	−0.00483 (17)	0.88083 (16)	0.0301 (5)
H7A	0.3087	0.0159	0.9056	0.036*
C11A	0.1498 (2)	0.30931 (16)	0.90502 (15)	0.0314 (5)
C12A	0.0759 (2)	0.38603 (17)	0.91703 (16)	0.0358 (5)
C13A	0.1220 (2)	0.47552 (17)	0.90166 (17)	0.0393 (6)
H13A	0.0727	0.5283	0.9076	0.047*
C14A	0.2374 (3)	0.48793 (17)	0.87809 (18)	0.0417 (6)
H14A	0.2664	0.5490	0.8680	0.050*
C15A	0.3114 (2)	0.41263 (18)	0.86902 (18)	0.0418 (6)
H15A	0.3913	0.4218	0.8545	0.050*
C16A	0.2678 (2)	0.32367 (16)	0.88133 (16)	0.0362 (5)
H16A	0.3179	0.2716	0.8738	0.043*
C17A	−0.0493 (2)	0.3775 (2)	0.9429 (2)	0.0478 (7)
H17D	−0.0891	0.3366	0.8992	0.072*
H17E	−0.0858	0.4392	0.9418	0.072*
H17F	−0.0555	0.3512	1.0046	0.072*

	U11	U22	U33	U12	U13	U23
O1	0.0282 (8)	0.0198 (7)	0.0458 (9)	−0.0024 (6)	−0.0051 (7)	0.0052 (7)
O2	0.0326 (9)	0.0235 (7)	0.0490 (10)	−0.0024 (7)	−0.0090 (7)	−0.0003 (7)
O3	0.0469 (11)	0.0246 (9)	0.1094 (18)	0.0035 (9)	0.0207 (12)	−0.0050 (10)
O4	0.0533 (12)	0.0290 (9)	0.0628 (12)	−0.0075 (9)	0.0194 (10)	0.0070 (8)
N1	0.0342 (11)	0.0216 (9)	0.0431 (11)	−0.0006 (9)	0.0008 (9)	−0.0007 (8)
C1	0.0267 (11)	0.0211 (10)	0.0277 (10)	0.0031 (9)	0.0032 (9)	0.0001 (9)
C2	0.0270 (11)	0.0202 (10)	0.0299 (11)	−0.0019 (9)	−0.0037 (9)	0.0019 (8)
C3	0.0263 (11)	0.0256 (11)	0.0318 (12)	0.0024 (9)	0.0033 (9)	−0.0006 (8)
C4	0.0267 (11)	0.0235 (10)	0.0305 (11)	−0.0003 (9)	0.0020 (9)	0.0016 (8)
C5	0.0285 (11)	0.0213 (10)	0.0289 (10)	−0.0010 (9)	−0.0008 (9)	0.0006 (8)
C6	0.0240 (10)	0.0279 (11)	0.0310 (11)	0.0027 (9)	0.0012 (9)	−0.0005 (9)
C7	0.0229 (10)	0.0285 (11)	0.0313 (11)	−0.0021 (9)	0.0014 (9)	0.0042 (9)
C11	0.0305 (11)	0.0210 (10)	0.0256 (10)	−0.0011 (9)	0.0058 (9)	−0.0006 (8)
C12	0.0322 (12)	0.0264 (11)	0.0280 (11)	0.0026 (9)	0.0084 (9)	0.0028 (8)
C13	0.0474 (14)	0.0240 (11)	0.0353 (13)	0.0028 (11)	0.0123 (11)	0.0033 (9)
C14	0.0614 (17)	0.0225 (11)	0.0356 (12)	−0.0074 (11)	0.0124 (12)	−0.0028 (10)
C15	0.0490 (15)	0.0339 (13)	0.0339 (12)	−0.0134 (12)	0.0030 (11)	−0.0048 (10)
C16	0.0349 (12)	0.0284 (11)	0.0326 (12)	−0.0034 (10)	0.0008 (10)	−0.0029 (9)
C17	0.0353 (13)	0.0329 (13)	0.0508 (15)	0.0036 (11)	−0.0013 (11)	0.0137 (11)
O1A	0.0339 (8)	0.0227 (8)	0.0458 (9)	−0.0038 (7)	0.0081 (8)	−0.0041 (7)
O2A	0.0481 (11)	0.0414 (10)	0.0612 (12)	−0.0108 (9)	0.0244 (10)	−0.0146 (9)
O3A	0.0573 (12)	0.0319 (9)	0.0624 (13)	−0.0084 (9)	−0.0172 (10)	−0.0089 (8)
O4A	0.0563 (12)	0.0258 (9)	0.0926 (16)	0.0109 (9)	−0.0109 (11)	−0.0031 (10)
N1A	0.0404 (11)	0.0262 (10)	0.0349 (11)	−0.0008 (9)	−0.0004 (9)	−0.0034 (8)
C1A	0.0328 (12)	0.0315 (12)	0.0326 (12)	0.0001 (10)	0.0041 (10)	−0.0022 (10)
C2A	0.0303 (11)	0.0239 (10)	0.0283 (10)	−0.0027 (9)	0.0064 (10)	0.0003 (9)
C3A	0.0275 (11)	0.0262 (10)	0.0332 (11)	0.0046 (9)	0.0006 (10)	0.0028 (9)
C4A	0.0290 (11)	0.0294 (11)	0.0285 (11)	−0.0016 (10)	−0.0027 (9)	0.0014 (9)
C5A	0.0318 (11)	0.0234 (10)	0.0267 (10)	−0.0005 (9)	0.0010 (9)	−0.0014 (8)
C6A	0.0290 (11)	0.0276 (11)	0.0361 (12)	0.0047 (9)	−0.0004 (10)	0.0001 (10)
C7A	0.0242 (10)	0.0320 (11)	0.0343 (12)	−0.0011 (9)	−0.0011 (9)	−0.0017 (9)
C11A	0.0400 (13)	0.0285 (11)	0.0257 (10)	−0.0009 (10)	−0.0022 (10)	−0.0048 (9)
C12A	0.0410 (13)	0.0358 (13)	0.0307 (12)	0.0030 (11)	−0.0060 (10)	−0.0087 (10)
C13A	0.0528 (15)	0.0317 (12)	0.0334 (12)	0.0020 (11)	−0.0113 (12)	−0.0079 (10)
C14A	0.0594 (16)	0.0283 (13)	0.0374 (13)	−0.0031 (12)	−0.0043 (12)	−0.0024 (10)
C15A	0.0449 (14)	0.0360 (13)	0.0446 (14)	−0.0087 (12)	0.0046 (12)	−0.0023 (11)
C16A	0.0451 (14)	0.0268 (12)	0.0366 (13)	−0.0042 (11)	0.0013 (11)	−0.0005 (9)
C17A	0.0438 (15)	0.0465 (15)	0.0532 (16)	0.0061 (13)	−0.0041 (13)	−0.0124 (12)

O1—C1	1.376 (3)	O1A—C1A	1.375 (3)
O1—C2	1.395 (2)	O1A—C2A	1.392 (3)
O2—C1	1.199 (3)	O2A—C1A	1.196 (3)
O3—N1	1.223 (3)	O3A—N1A	1.226 (3)
O4—N1	1.219 (3)	O4A—N1A	1.227 (3)
N1—C5	1.463 (3)	N1A—C5A	1.471 (3)
C1—C11	1.490 (3)	C1A—C11A	1.489 (3)
C2—C3	1.382 (3)	C2A—C7A	1.379 (3)
C2—C7	1.387 (3)	C2A—C3A	1.392 (3)
C3—C4	1.390 (3)	C3A—C4A	1.386 (3)
C3—H3	0.9500	C3A—H3A	0.9500
C4—C5	1.387 (3)	C4A—C5A	1.384 (3)
C4—H4	0.9500	C4A—H4A	0.9500
C5—C6	1.389 (3)	C5A—C6A	1.381 (3)
C6—C7	1.381 (3)	C6A—C7A	1.387 (3)
C6—H6	0.9500	C6A—H6A	0.9500
C7—H7	0.9500	C7A—H7A	0.9500
C11—C16	1.397 (3)	C11A—C12A	1.401 (3)
C11—C12	1.409 (3)	C11A—C16A	1.412 (4)
C12—C13	1.396 (3)	C12A—C13A	1.408 (4)
C12—C17	1.505 (3)	C12A—C17A	1.491 (4)
C13—C14	1.381 (4)	C13A—C14A	1.380 (4)
C13—H13	0.9500	C13A—H13A	0.9500
C14—C15	1.377 (4)	C14A—C15A	1.381 (4)
C14—H14	0.9500	C14A—H14A	0.9500
C15—C16	1.385 (3)	C15A—C16A	1.384 (4)
C15—H15	0.9500	C15A—H15A	0.9500
C16—H16	0.9500	C16A—H16A	0.9500
C17—H17A	0.9800	C17A—H17D	0.9800
C17—H17B	0.9800	C17A—H17E	0.9800
C17—H17C	0.9800	C17A—H17F	0.9800
C1—O1—C2	118.90 (16)	C1A—O1A—C2A	120.55 (18)
O4—N1—O3	122.80 (19)	O3A—N1A—O4A	123.2 (2)
O4—N1—C5	119.06 (19)	O3A—N1A—C5A	118.4 (2)
O3—N1—C5	118.1 (2)	O4A—N1A—C5A	118.4 (2)
O2—C1—O1	122.09 (18)	O2A—C1A—O1A	122.3 (2)
O2—C1—C11	127.2 (2)	O2A—C1A—C11A	127.9 (2)
O1—C1—C11	110.67 (18)	O1A—C1A—C11A	109.76 (19)
C3—C2—C7	122.06 (19)	C7A—C2A—C3A	122.0 (2)
C3—C2—O1	121.81 (19)	C7A—C2A—O1A	116.19 (19)
C7—C2—O1	115.96 (19)	C3A—C2A—O1A	121.5 (2)
C2—C3—C4	118.9 (2)	C4A—C3A—C2A	118.7 (2)
C2—C3—H3	120.5	C4A—C3A—H3A	120.7
C4—C3—H3	120.5	C2A—C3A—H3A	120.7
C5—C4—C3	118.5 (2)	C5A—C4A—C3A	118.8 (2)
C5—C4—H4	120.8	C5A—C4A—H4A	120.6
C3—C4—H4	120.8	C3A—C4A—H4A	120.6
C4—C5—C6	123.0 (2)	C6A—C5A—C4A	122.7 (2)
C4—C5—N1	118.6 (2)	C6A—C5A—N1A	118.5 (2)
C6—C5—N1	118.4 (2)	C4A—C5A—N1A	118.7 (2)
C7—C6—C5	117.8 (2)	C5A—C6A—C7A	118.3 (2)
C7—C6—H6	121.1	C5A—C6A—H6A	120.8
C5—C6—H6	121.1	C7A—C6A—H6A	120.8
C6—C7—C2	119.8 (2)	C2A—C7A—C6A	119.5 (2)
C6—C7—H7	120.1	C2A—C7A—H7A	120.3
C2—C7—H7	120.1	C6A—C7A—H7A	120.3
C16—C11—C12	120.2 (2)	C12A—C11A—C16A	119.7 (2)
C16—C11—C1	119.4 (2)	C12A—C11A—C1A	121.2 (2)
C12—C11—C1	120.4 (2)	C16A—C11A—C1A	119.0 (2)
C13—C12—C11	117.3 (2)	C11A—C12A—C13A	118.1 (2)
C13—C12—C17	118.7 (2)	C11A—C12A—C17A	123.4 (2)
C11—C12—C17	124.0 (2)	C13A—C12A—C17A	118.5 (2)
C14—C13—C12	122.0 (2)	C14A—C13A—C12A	121.2 (2)
C14—C13—H13	119.0	C14A—C13A—H13A	119.4
C12—C13—H13	119.0	C12A—C13A—H13A	119.4
C15—C14—C13	120.4 (2)	C13A—C14A—C15A	120.8 (2)
C15—C14—H14	119.8	C13A—C14A—H14A	119.6
C13—C14—H14	119.8	C15A—C14A—H14A	119.6
C14—C15—C16	119.2 (2)	C14A—C15A—C16A	119.2 (2)
C14—C15—H15	120.4	C14A—C15A—H15A	120.4
C16—C15—H15	120.4	C16A—C15A—H15A	120.4
C15—C16—C11	120.9 (2)	C15A—C16A—C11A	120.9 (2)
C15—C16—H16	119.6	C15A—C16A—H16A	119.6
C11—C16—H16	119.6	C11A—C16A—H16A	119.6
C12—C17—H17A	109.5	C12A—C17A—H17D	109.5
C12—C17—H17B	109.5	C12A—C17A—H17E	109.5
H17A—C17—H17B	109.5	H17D—C17A—H17E	109.5
C12—C17—H17C	109.5	C12A—C17A—H17F	109.5
H17A—C17—H17C	109.5	H17D—C17A—H17F	109.5
H17B—C17—H17C	109.5	H17E—C17A—H17F	109.5
C2—O1—C1—O2	−4.9 (3)	C2A—O1A—C1A—O2A	6.6 (4)
C2—O1—C1—C11	175.37 (18)	C2A—O1A—C1A—C11A	−173.3 (2)
C1—O1—C2—C3	−53.7 (3)	C1A—O1A—C2A—C7A	−133.2 (2)
C1—O1—C2—C7	130.9 (2)	C1A—O1A—C2A—C3A	53.3 (3)
C7—C2—C3—C4	−0.9 (3)	C7A—C2A—C3A—C4A	0.9 (3)
O1—C2—C3—C4	−176.0 (2)	O1A—C2A—C3A—C4A	174.1 (2)
C2—C3—C4—C5	0.0 (3)	C2A—C3A—C4A—C5A	−0.6 (3)
C3—C4—C5—C6	0.8 (3)	C3A—C4A—C5A—C6A	0.0 (3)
C3—C4—C5—N1	−179.7 (2)	C3A—C4A—C5A—N1A	−179.7 (2)
O4—N1—C5—C4	−2.0 (3)	O3A—N1A—C5A—C6A	−178.6 (2)
O3—N1—C5—C4	178.5 (2)	O4A—N1A—C5A—C6A	1.4 (3)
O4—N1—C5—C6	177.5 (2)	O3A—N1A—C5A—C4A	1.0 (3)
O3—N1—C5—C6	−1.9 (3)	O4A—N1A—C5A—C4A	−178.9 (2)
C4—C5—C6—C7	−0.7 (3)	C4A—C5A—C6A—C7A	0.3 (3)
N1—C5—C6—C7	179.8 (2)	N1A—C5A—C6A—C7A	180.0 (2)
C5—C6—C7—C2	−0.2 (3)	C3A—C2A—C7A—C6A	−0.6 (4)
C3—C2—C7—C6	1.0 (3)	O1A—C2A—C7A—C6A	−174.1 (2)
O1—C2—C7—C6	176.4 (2)	C5A—C6A—C7A—C2A	−0.1 (4)
O2—C1—C11—C16	178.7 (2)	O2A—C1A—C11A—C12A	−20.9 (4)
O1—C1—C11—C16	−1.6 (3)	O1A—C1A—C11A—C12A	159.0 (2)
O2—C1—C11—C12	−0.4 (4)	O2A—C1A—C11A—C16A	160.8 (3)
O1—C1—C11—C12	179.30 (19)	O1A—C1A—C11A—C16A	−19.3 (3)
C16—C11—C12—C13	−0.3 (3)	C16A—C11A—C12A—C13A	2.2 (3)
C1—C11—C12—C13	178.79 (19)	C1A—C11A—C12A—C13A	−176.1 (2)
C16—C11—C12—C17	180.0 (2)	C16A—C11A—C12A—C17A	−179.4 (2)
C1—C11—C12—C17	−0.9 (3)	C1A—C11A—C12A—C17A	2.3 (4)
C11—C12—C13—C14	0.4 (3)	C11A—C12A—C13A—C14A	−1.9 (4)
C17—C12—C13—C14	−179.8 (2)	C17A—C12A—C13A—C14A	179.6 (2)
C12—C13—C14—C15	0.2 (4)	C12A—C13A—C14A—C15A	−0.1 (4)
C13—C14—C15—C16	−1.0 (4)	C13A—C14A—C15A—C16A	1.8 (4)
C14—C15—C16—C11	1.1 (4)	C14A—C15A—C16A—C11A	−1.5 (4)
C12—C11—C16—C15	−0.4 (3)	C12A—C11A—C16A—C15A	−0.5 (4)
C1—C11—C16—C15	−179.6 (2)	C1A—C11A—C16A—C15A	177.8 (2)