Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate

The benzo­thia­zine skeleton is not planar, with a maximum deviation of 0.3154 (11) Å from the least-squares plane. The mol­ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo­thia­zine ring lead to point group symmetry 1.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.002 Å
• R factor = 0.040
• wR factor = 0.111
• Data-to-parameter ratio = 20.5

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT244_ALERT_4_C Low    'Solvent' Ueq as Compared to Neighbors of        N1A Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      4.311 Check
PLAT910_ALERT_3_C Missing # of FCF Reflection(s) Below Theta(Min).          7 Note
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          6 Report
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          4 Note

Alert level G
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT380_ALERT_4_G Incorrectly? Oriented X(sp2)-Methyl Moiety .....        C2A Check
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          6 Note
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......     Please Check
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.         17 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   6 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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Computing details

Data collection: CrysAlis CCD (Agilent, 2012); cell refinement: CrysAlis RED (Agilent, 2012); data reduction: CrysAlis RED (Agilent, 2012); program(s) used to solve structure: SHELXS (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

5,9-Dimethyl-5H-pyrano[3,2-c:5,6-c']bis[2,1-benzothiazin]-7(9H)-one 6,6,8,8-tetroxide dimethylformamide monosolvate

Crystal data

C19H14N2O6S2·C3H7NO	F(000) = 1048
Mr = 503.54	Dx = 1.525 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 7.2678 (2) Å	Cell parameters from 8803 reflections
b = 26.5667 (7) Å	θ = 3.3–32.1°
c = 11.3590 (3) Å	µ = 0.30 mm^−1
β = 90.498 (3)°	T = 293 K
V = 2193.13 (10) Å^3	Block, colourless
Z = 4	0.20 × 0.20 × 0.18 mm

Data collection

Agilent Xcalibur, Sapphire3 diffractometer	6370 independent reflections
Radiation source: Enhance (Mo) X-ray Source	5409 reflections with I > 2σ(I)
Detector resolution: 16.1827 pixels mm^-1	Rint = 0.022
ω scans	θmax = 30.0°, θmin = 3.2°
Absorption correction: multi-scan (CrysAlis RED; Agilent, 2012)	h = −9→10
Tmin = 0.840, Tmax = 1.000	k = −34→37
21958 measured reflections	l = −15→15

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.040	H-atom parameters constrained
wR(F^2) = 0.111	w = 1/[σ^2(Fo^2) + (0.056P)^2 + 0.5564P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.001
6370 reflections	Δρmax = 0.31 e Å^−3
311 parameters	Δρmin = −0.35 e Å^−3

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S1	0.27857 (5)	0.53088 (2)	0.78395 (3)	0.03522 (10)
S2	0.35468 (5)	0.68735 (2)	0.47772 (3)	0.03406 (9)
N1	0.31960 (18)	0.47039 (5)	0.76567 (10)	0.0355 (3)
N2	0.40095 (19)	0.68763 (4)	0.33637 (11)	0.0377 (3)
O1	0.27500 (14)	0.54076 (3)	0.43723 (8)	0.0300 (2)
O2	0.33446 (19)	0.63741 (4)	0.71036 (9)	0.0475 (3)
O3	0.4170 (2)	0.54940 (5)	0.86153 (10)	0.0556 (3)
O4	0.09057 (19)	0.53887 (5)	0.81476 (11)	0.0528 (3)
O5	0.50923 (18)	0.70840 (4)	0.53734 (11)	0.0511 (3)
O6	0.18001 (18)	0.70953 (5)	0.50021 (12)	0.0529 (3)
C1	0.30950 (19)	0.55350 (5)	0.64196 (11)	0.0294 (3)
C2	0.27719 (17)	0.52260 (5)	0.54891 (11)	0.0274 (2)
C3	0.23924 (18)	0.46944 (5)	0.55627 (12)	0.0287 (2)
C4	0.25669 (18)	0.44458 (5)	0.66557 (12)	0.0307 (3)
C5	0.33905 (18)	0.62303 (5)	0.50507 (11)	0.0288 (2)
C6	0.30000 (17)	0.59081 (5)	0.41606 (11)	0.0271 (2)
C7	0.27399 (18)	0.60439 (5)	0.29458 (11)	0.0293 (3)
C8	0.31990 (19)	0.65325 (5)	0.25751 (12)	0.0330 (3)
C9	0.2198 (2)	0.39295 (5)	0.67129 (15)	0.0388 (3)
H9	0.230327	0.375995	0.742662	0.047*
C10	0.1678 (2)	0.36734 (6)	0.57123 (16)	0.0447 (4)
H10	0.144752	0.332967	0.575848	0.054*
C11	0.1491 (2)	0.39142 (6)	0.46392 (16)	0.0445 (4)
H11	0.112482	0.373420	0.397521	0.053*
C12	0.1849 (2)	0.44209 (5)	0.45585 (13)	0.0366 (3)
H12	0.173175	0.458353	0.383672	0.044*
C13	0.2965 (2)	0.66588 (7)	0.13887 (14)	0.0450 (4)
H13	0.327636	0.697916	0.112718	0.054*
C14	0.2274 (2)	0.63092 (8)	0.06068 (14)	0.0489 (4)
H14	0.213819	0.639567	−0.018251	0.059*
C15	0.1778 (2)	0.58326 (7)	0.09716 (13)	0.0443 (4)
H15	0.128749	0.560360	0.043496	0.053*
C16	0.2012 (2)	0.56987 (6)	0.21301 (12)	0.0363 (3)
H16	0.168641	0.537724	0.237646	0.044*
C17	0.3401 (2)	0.44312 (7)	0.87830 (14)	0.0449 (4)
H17C	0.418161	0.414374	0.867349	0.067*
H17B	0.221431	0.432194	0.904561	0.067*
H17A	0.394062	0.465053	0.936211	0.067*
C18	0.4721 (3)	0.73589 (7)	0.29163 (18)	0.0593 (5)
H18C	0.371718	0.755881	0.262233	0.089*
H18B	0.557380	0.729589	0.229276	0.089*
H18A	0.533497	0.753615	0.354267	0.089*
C19	0.3323 (2)	0.60783 (5)	0.62857 (11)	0.0317 (3)
N1A	0.8356 (2)	0.81500 (6)	0.40202 (13)	0.0473 (3)
O1A	0.7557 (2)	0.81809 (6)	0.59460 (13)	0.0654 (4)
C1A	0.8365 (3)	0.79886 (7)	0.51263 (17)	0.0503 (4)
H1A	0.905307	0.770158	0.529054	0.060*
C2A	0.9428 (3)	0.79092 (10)	0.3113 (2)	0.0696 (6)
H2AC	1.005000	0.762143	0.343706	0.104*
H2AB	1.031860	0.814287	0.281574	0.104*
H2AA	0.862751	0.780360	0.248316	0.104*
C3A	0.7312 (4)	0.85925 (9)	0.3696 (2)	0.0769 (7)
H3AC	0.669591	0.853504	0.295690	0.115*
H3AB	0.812776	0.887473	0.362385	0.115*
H3AA	0.641725	0.866160	0.429150	0.115*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S1	0.0477 (2)	0.03408 (17)	0.02385 (16)	−0.00072 (14)	−0.00252 (13)	−0.00174 (12)
S2	0.04352 (19)	0.02353 (15)	0.03518 (18)	0.00017 (12)	0.00303 (14)	−0.00355 (12)
N1	0.0438 (7)	0.0324 (6)	0.0301 (6)	0.0006 (5)	−0.0039 (5)	0.0038 (5)
N2	0.0502 (7)	0.0283 (6)	0.0346 (6)	−0.0031 (5)	0.0049 (5)	0.0021 (5)
O1	0.0424 (5)	0.0251 (4)	0.0226 (4)	−0.0028 (4)	0.0001 (4)	−0.0031 (3)
O2	0.0785 (9)	0.0336 (5)	0.0304 (5)	0.0003 (5)	−0.0047 (5)	−0.0108 (4)
O3	0.0812 (9)	0.0509 (7)	0.0343 (6)	−0.0151 (6)	−0.0219 (6)	0.0006 (5)
O4	0.0595 (8)	0.0560 (7)	0.0431 (6)	0.0114 (6)	0.0164 (5)	0.0001 (5)
O5	0.0641 (8)	0.0393 (6)	0.0499 (7)	−0.0184 (5)	−0.0046 (6)	−0.0075 (5)
O6	0.0597 (8)	0.0381 (6)	0.0612 (8)	0.0165 (5)	0.0154 (6)	−0.0003 (5)
C1	0.0363 (6)	0.0282 (6)	0.0237 (6)	0.0000 (5)	−0.0018 (5)	−0.0020 (5)
C2	0.0298 (6)	0.0271 (6)	0.0252 (6)	0.0003 (5)	0.0001 (4)	−0.0020 (4)
C3	0.0291 (6)	0.0258 (6)	0.0313 (6)	0.0002 (4)	0.0005 (5)	−0.0028 (5)
C4	0.0280 (6)	0.0288 (6)	0.0352 (7)	0.0016 (5)	0.0024 (5)	−0.0003 (5)
C5	0.0336 (6)	0.0251 (5)	0.0276 (6)	0.0004 (5)	0.0001 (5)	−0.0025 (5)
C6	0.0296 (6)	0.0257 (6)	0.0261 (6)	−0.0006 (4)	0.0012 (4)	−0.0018 (4)
C7	0.0304 (6)	0.0332 (6)	0.0244 (6)	0.0023 (5)	0.0008 (5)	−0.0015 (5)
C8	0.0354 (7)	0.0326 (6)	0.0311 (6)	0.0048 (5)	0.0017 (5)	0.0021 (5)
C9	0.0379 (7)	0.0301 (7)	0.0483 (8)	0.0004 (5)	0.0049 (6)	0.0069 (6)
C10	0.0441 (8)	0.0268 (6)	0.0634 (10)	−0.0044 (6)	0.0050 (7)	−0.0016 (7)
C11	0.0494 (9)	0.0331 (7)	0.0508 (9)	−0.0058 (6)	−0.0023 (7)	−0.0128 (7)
C12	0.0425 (8)	0.0310 (7)	0.0363 (7)	−0.0025 (6)	−0.0033 (6)	−0.0065 (5)
C13	0.0552 (9)	0.0445 (8)	0.0352 (8)	0.0084 (7)	0.0007 (7)	0.0103 (6)
C14	0.0537 (10)	0.0648 (11)	0.0281 (7)	0.0108 (8)	−0.0033 (6)	0.0066 (7)
C15	0.0423 (8)	0.0628 (10)	0.0278 (7)	0.0007 (7)	−0.0038 (6)	−0.0071 (7)
C16	0.0382 (7)	0.0431 (8)	0.0277 (6)	−0.0032 (6)	0.0003 (5)	−0.0058 (6)
C17	0.0520 (9)	0.0474 (9)	0.0352 (8)	0.0035 (7)	−0.0022 (7)	0.0127 (7)
C18	0.0867 (14)	0.0381 (9)	0.0533 (11)	−0.0154 (9)	0.0146 (10)	0.0071 (8)
C19	0.0398 (7)	0.0281 (6)	0.0273 (6)	0.0003 (5)	−0.0030 (5)	−0.0042 (5)
N1A	0.0451 (7)	0.0465 (8)	0.0501 (8)	0.0034 (6)	−0.0014 (6)	0.0010 (6)
O1A	0.0776 (10)	0.0597 (8)	0.0593 (8)	−0.0037 (7)	0.0145 (7)	−0.0117 (7)
C1A	0.0513 (10)	0.0458 (9)	0.0539 (10)	0.0012 (7)	0.0039 (8)	0.0010 (8)
C2A	0.0693 (13)	0.0796 (15)	0.0602 (12)	0.0119 (11)	0.0173 (10)	0.0069 (11)
C3A	0.0933 (18)	0.0628 (13)	0.0744 (15)	0.0251 (12)	−0.0108 (13)	0.0045 (11)

Geometric parameters (Å, º)

S1—O3	1.4197 (12)	C10—C11	1.382 (2)
S1—O4	1.4292 (14)	C10—H10	0.9300
S1—N1	1.6479 (13)	C11—C12	1.374 (2)
S1—C1	1.7375 (13)	C11—H11	0.9300
S2—O5	1.4212 (12)	C12—H12	0.9300
S2—O6	1.4247 (12)	C13—C14	1.377 (3)
S2—N2	1.6433 (13)	C13—H13	0.9300
S2—C5	1.7405 (13)	C14—C15	1.381 (3)
N1—C4	1.4012 (18)	C14—H14	0.9300
N1—C17	1.4767 (18)	C15—C16	1.372 (2)
N2—C8	1.4052 (18)	C15—H15	0.9300
N2—C18	1.474 (2)	C16—H16	0.9300
O1—C2	1.3571 (15)	C17—H17C	0.9600
O1—C6	1.3638 (15)	C17—H17B	0.9600
O2—C19	1.2168 (16)	C17—H17A	0.9600
C1—C2	1.3571 (17)	C18—H18C	0.9600
C1—C19	1.4610 (18)	C18—H18B	0.9600
C2—C3	1.4415 (17)	C18—H18A	0.9600
C3—C12	1.4062 (18)	N1A—C1A	1.328 (2)
C3—C4	1.4110 (19)	N1A—C3A	1.445 (3)
C4—C9	1.3992 (19)	N1A—C2A	1.446 (3)
C5—C6	1.3529 (17)	O1A—C1A	1.217 (2)
C5—C19	1.4611 (18)	C1A—H1A	0.9300
C6—C7	1.4371 (17)	C2A—H2AC	0.9600
C7—C16	1.4039 (19)	C2A—H2AB	0.9600
C7—C8	1.4055 (19)	C2A—H2AA	0.9600
C8—C13	1.398 (2)	C3A—H3AC	0.9600
C9—C10	1.375 (2)	C3A—H3AB	0.9600
C9—H9	0.9300	C3A—H3AA	0.9600
O3—S1—O4	118.06 (9)	C12—C11—H11	120.2
O3—S1—N1	106.74 (7)	C10—C11—H11	120.2
O4—S1—N1	110.49 (7)	C11—C12—C3	120.27 (14)
O3—S1—C1	111.08 (7)	C11—C12—H12	119.9
O4—S1—C1	107.92 (7)	C3—C12—H12	119.9
N1—S1—C1	101.26 (6)	C14—C13—C8	120.03 (16)
O5—S2—O6	116.97 (8)	C14—C13—H13	120.0
O5—S2—N2	107.23 (7)	C8—C13—H13	120.0
O6—S2—N2	111.32 (8)	C13—C14—C15	121.31 (14)
O5—S2—C5	110.72 (7)	C13—C14—H14	119.3
O6—S2—C5	108.33 (7)	C15—C14—H14	119.3
N2—S2—C5	101.13 (6)	C16—C15—C14	119.65 (15)
C4—N1—C17	119.52 (12)	C16—C15—H15	120.2
C4—N1—S1	121.43 (9)	C14—C15—H15	120.2
C17—N1—S1	112.73 (10)	C15—C16—C7	120.43 (15)
C8—N2—C18	119.46 (13)	C15—C16—H16	119.8
C8—N2—S2	122.12 (10)	C7—C16—H16	119.8
C18—N2—S2	114.59 (11)	N1—C17—H17C	109.5
C2—O1—C6	120.73 (10)	N1—C17—H17B	109.5
C2—C1—C19	122.37 (12)	H17C—C17—H17B	109.5
C2—C1—S1	119.40 (10)	N1—C17—H17A	109.5
C19—C1—S1	117.00 (9)	H17C—C17—H17A	109.5
C1—C2—O1	120.90 (12)	H17B—C17—H17A	109.5
C1—C2—C3	125.40 (12)	N2—C18—H18C	109.5
O1—C2—C3	113.69 (11)	N2—C18—H18B	109.5
C12—C3—C4	119.62 (12)	H18C—C18—H18B	109.5
C12—C3—C2	120.78 (12)	N2—C18—H18A	109.5
C4—C3—C2	119.60 (12)	H18C—C18—H18A	109.5
C9—C4—N1	120.23 (13)	H18B—C18—H18A	109.5
C9—C4—C3	118.95 (13)	O2—C19—C1	124.01 (13)
N1—C4—C3	120.73 (12)	O2—C19—C5	123.66 (13)
C6—C5—C19	122.28 (12)	C1—C19—C5	112.20 (11)
C6—C5—S2	120.08 (10)	C1A—N1A—C3A	120.13 (17)
C19—C5—S2	116.45 (9)	C1A—N1A—C2A	122.24 (17)
C5—C6—O1	120.83 (11)	C3A—N1A—C2A	117.58 (18)
C5—C6—C7	125.71 (12)	O1A—C1A—N1A	126.16 (19)
O1—C6—C7	113.42 (11)	O1A—C1A—H1A	116.9
C16—C7—C8	119.64 (12)	N1A—C1A—H1A	116.9
C16—C7—C6	121.02 (12)	N1A—C2A—H2AC	109.5
C8—C7—C6	119.33 (12)	N1A—C2A—H2AB	109.5
C13—C8—N2	120.35 (14)	H2AC—C2A—H2AB	109.5
C13—C8—C7	118.91 (13)	N1A—C2A—H2AA	109.5
N2—C8—C7	120.57 (12)	H2AC—C2A—H2AA	109.5
C10—C9—C4	119.88 (15)	H2AB—C2A—H2AA	109.5
C10—C9—H9	120.1	N1A—C3A—H3AC	109.5
C4—C9—H9	120.1	N1A—C3A—H3AB	109.5
C9—C10—C11	121.62 (14)	H3AC—C3A—H3AB	109.5
C9—C10—H10	119.2	N1A—C3A—H3AA	109.5
C11—C10—H10	119.2	H3AC—C3A—H3AA	109.5
C12—C11—C10	119.67 (14)	H3AB—C3A—H3AA	109.5
O3—S1—N1—C4	−156.20 (12)	C19—C5—C6—O1	−8.4 (2)
O4—S1—N1—C4	74.25 (13)	S2—C5—C6—O1	−175.54 (9)
C1—S1—N1—C4	−39.91 (13)	C19—C5—C6—C7	169.19 (13)
O3—S1—N1—C17	51.92 (13)	S2—C5—C6—C7	2.0 (2)
O4—S1—N1—C17	−77.63 (12)	C2—O1—C6—C5	4.20 (19)
C1—S1—N1—C17	168.21 (11)	C2—O1—C6—C7	−173.67 (11)
O5—S2—N2—C8	154.03 (12)	C5—C6—C7—C16	−168.18 (14)
O6—S2—N2—C8	−76.87 (13)	O1—C6—C7—C16	9.57 (18)
C5—S2—N2—C8	38.02 (13)	C5—C6—C7—C8	10.9 (2)
O5—S2—N2—C18	−48.17 (15)	O1—C6—C7—C8	−171.32 (12)
O6—S2—N2—C18	80.93 (15)	C18—N2—C8—C13	−3.9 (2)
C5—S2—N2—C18	−164.18 (13)	S2—N2—C8—C13	152.83 (12)
O3—S1—C1—C2	141.18 (12)	C18—N2—C8—C7	171.24 (15)
O4—S1—C1—C2	−87.94 (13)	S2—N2—C8—C7	−32.00 (19)
N1—S1—C1—C2	28.13 (13)	C16—C7—C8—C13	−1.8 (2)
O3—S1—C1—C19	−51.17 (13)	C6—C7—C8—C13	179.13 (13)
O4—S1—C1—C19	79.71 (12)	C16—C7—C8—N2	−176.99 (13)
N1—S1—C1—C19	−164.22 (11)	C6—C7—C8—N2	3.9 (2)
C19—C1—C2—O1	3.8 (2)	N1—C4—C9—C10	−176.42 (14)
S1—C1—C2—O1	170.77 (10)	C3—C4—C9—C10	0.1 (2)
C19—C1—C2—C3	−174.90 (13)	C4—C9—C10—C11	−0.6 (2)
S1—C1—C2—C3	−7.95 (19)	C9—C10—C11—C12	0.7 (3)
C6—O1—C2—C1	−1.91 (19)	C10—C11—C12—C3	−0.4 (2)
C6—O1—C2—C3	176.96 (11)	C4—C3—C12—C11	−0.1 (2)
C1—C2—C3—C12	171.94 (13)	C2—C3—C12—C11	179.99 (14)
O1—C2—C3—C12	−6.86 (18)	N2—C8—C13—C14	176.03 (15)
C1—C2—C3—C4	−8.0 (2)	C7—C8—C13—C14	0.8 (2)
O1—C2—C3—C4	173.18 (11)	C8—C13—C14—C15	0.8 (3)
C17—N1—C4—C9	−2.2 (2)	C13—C14—C15—C16	−1.4 (3)
S1—N1—C4—C9	−152.27 (12)	C14—C15—C16—C7	0.4 (2)
C17—N1—C4—C3	−178.74 (13)	C8—C7—C16—C15	1.2 (2)
S1—N1—C4—C3	31.23 (18)	C6—C7—C16—C15	−179.73 (14)
C12—C3—C4—C9	0.2 (2)	C2—C1—C19—O2	168.80 (15)
C2—C3—C4—C9	−179.87 (13)	S1—C1—C19—O2	1.6 (2)
C12—C3—C4—N1	176.72 (13)	C2—C1—C19—C5	−7.13 (19)
C2—C3—C4—N1	−3.32 (19)	S1—C1—C19—C5	−174.38 (10)
O5—S2—C5—C6	−136.55 (12)	C6—C5—C19—O2	−166.55 (15)
O6—S2—C5—C6	93.95 (13)	S2—C5—C19—O2	1.0 (2)
N2—S2—C5—C6	−23.15 (13)	C6—C5—C19—C1	9.40 (19)
O5—S2—C5—C19	55.58 (13)	S2—C5—C19—C1	176.98 (10)
O6—S2—C5—C19	−73.91 (12)	C3A—N1A—C1A—O1A	−0.3 (3)
N2—S2—C5—C19	168.99 (11)	C2A—N1A—C1A—O1A	177.1 (2)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C17—H17A···O3	0.96	2.40	2.885 (2)	111
C18—H18A···O5	0.96	2.41	2.895 (2)	111
C3A—H3AA···O1A	0.96	2.41	2.784 (3)	103
C12—H12···O1	0.93	2.39	2.7106 (17)	100
C16—H16···O1	0.93	2.39	2.7109 (17)	100
C9—H9···O1A^i	0.93	2.41	3.324 (2)	169
C18—H18B···O1A^ii	0.96	2.46	3.376 (3)	159

Symmetry codes: (i) −x+1, y−1/2, −z+3/2; (ii) x, −y+3/2, z−1/2.