In the title molecule, C
21H
24N
2O
2S
2, the two pyrrolidine rings adopt twisted conformations, while the thiazolidine ring is in an envelope conformation with the N atom at the flap position. In the crystal structure, molecules translated by a unit cell along the
a axis are linked by intermolecular O—H
O hydrogen bonds into chains. Adjacent chains are interconnected
via π–π and C—H
π interactions to form sheets parallel to the
ab plane.
Supporting information
CCDC reference: 621309
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.001 Å
- R factor = 0.031
- wR factor = 0.091
- Data-to-parameter ratio = 33.8
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.69 mm
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 10 Ang.
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 10 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact O2 .. C6 .. 2.98 Ang.
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
4 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 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
1 ALERT type 3 Indicator that the structure quality may be low
2 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).
2-(4-Methylphenyl)-5-(phenylsulfonyl)perhydro-1,3-thiazolo[3,4-
a]pyrrolo[4,5-
c]pyrrole
top
Crystal data top
C21H24N2O2S2 | Z = 2 |
Mr = 400.54 | F(000) = 424 |
Triclinic, P1 | Dx = 1.408 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.9672 (1) Å | Cell parameters from 8023 reflections |
b = 10.4040 (1) Å | θ = 2.8–40.9° |
c = 10.6794 (1) Å | µ = 0.30 mm−1 |
α = 88.311 (1)° | T = 100 K |
β = 72.555 (1)° | Block, colourless |
γ = 83.761 (1)° | 0.69 × 0.63 × 0.43 mm |
V = 944.87 (2) Å3 | |
Data collection top
Bruker SMART APEXII CCD area-detector diffractometer | 8275 independent reflections |
Radiation source: fine-focus sealed tube | 7477 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.019 |
Detector resolution: 8.33 pixels mm-1 | θmax = 35.0°, θmin = 2.6° |
ω scans | h = −14→14 |
Absorption correction: multi-scan (SADABS; Bruker, 2005) | k = −16→16 |
Tmin = 0.782, Tmax = 0.881 | l = −17→17 |
23928 measured reflections | |
Refinement top
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)] = 0.031 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.091 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0473P)2 + 0.2769P] where P = (Fo2 + 2Fc2)/3 |
8275 reflections | (Δ/σ)max = 0.001 |
245 parameters | Δρmax = 0.52 e Å−3 |
0 restraints | Δρmin = −0.43 e Å−3 |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
S1 | 0.63394 (3) | −0.03156 (2) | 0.285620 (19) | 0.01952 (5) | |
S2 | 0.02279 (2) | 0.433074 (19) | 0.284891 (18) | 0.01423 (4) | |
O1 | −0.00373 (8) | 0.56638 (6) | 0.32439 (6) | 0.02027 (12) | |
O2 | −0.10658 (7) | 0.35609 (7) | 0.31051 (7) | 0.02208 (12) | |
N1 | 0.14375 (8) | 0.36155 (6) | 0.35707 (6) | 0.01376 (11) | |
N2 | 0.48516 (7) | 0.19893 (6) | 0.26025 (6) | 0.01207 (10) | |
C1 | 0.26927 (9) | 0.42780 (7) | 0.38125 (7) | 0.01421 (12) | |
H1A | 0.2256 | 0.5033 | 0.4401 | 0.017* | |
H1B | 0.3419 | 0.4565 | 0.2982 | 0.017* | |
C2 | 0.35146 (9) | 0.32172 (7) | 0.44716 (7) | 0.01373 (12) | |
H2 | 0.2962 | 0.3162 | 0.5433 | 0.016* | |
C3 | 0.34258 (8) | 0.19897 (7) | 0.37383 (7) | 0.01277 (11) | |
H3 | 0.3445 | 0.1196 | 0.4286 | 0.015* | |
C4 | 0.19240 (9) | 0.22157 (7) | 0.33319 (7) | 0.01426 (12) | |
H4A | 0.2133 | 0.1998 | 0.2395 | 0.017* | |
H4B | 0.1107 | 0.1693 | 0.3872 | 0.017* | |
C5 | 0.52855 (9) | 0.33236 (8) | 0.42032 (8) | 0.01639 (13) | |
H5A | 0.5552 | 0.4196 | 0.3878 | 0.020* | |
H5B | 0.5601 | 0.3147 | 0.5009 | 0.020* | |
C6 | 0.61007 (8) | 0.22874 (7) | 0.31459 (7) | 0.01372 (12) | |
H6 | 0.6972 | 0.2642 | 0.2447 | 0.016* | |
C7 | 0.67242 (10) | 0.10293 (8) | 0.37237 (8) | 0.01913 (14) | |
H7A | 0.6178 | 0.0975 | 0.4675 | 0.023* | |
H7B | 0.7866 | 0.1015 | 0.3597 | 0.023* | |
C8 | 0.53380 (9) | 0.07889 (7) | 0.18744 (7) | 0.01401 (12) | |
H8 | 0.4373 | 0.0409 | 0.1840 | 0.017* | |
C9 | 0.63425 (9) | 0.10008 (7) | 0.04709 (7) | 0.01372 (12) | |
C10 | 0.78370 (10) | 0.03672 (9) | −0.00837 (8) | 0.01935 (14) | |
H10 | 0.8303 | −0.0204 | 0.0437 | 0.023* | |
C11 | 0.86590 (10) | 0.05634 (9) | −0.14007 (8) | 0.02116 (15) | |
H11 | 0.9684 | 0.0131 | −0.1757 | 0.025* | |
C12 | 0.80089 (10) | 0.13769 (8) | −0.21987 (7) | 0.01772 (14) | |
C13 | 0.65061 (10) | 0.20115 (8) | −0.16353 (8) | 0.01755 (13) | |
H13 | 0.6036 | 0.2575 | −0.2159 | 0.021* | |
C14 | 0.56865 (9) | 0.18329 (8) | −0.03232 (7) | 0.01584 (12) | |
H14 | 0.4671 | 0.2280 | 0.0038 | 0.019* | |
C15 | 0.12062 (9) | 0.42454 (7) | 0.11467 (7) | 0.01424 (12) | |
C16 | 0.08860 (10) | 0.33158 (8) | 0.03785 (8) | 0.01768 (13) | |
H16 | 0.0124 | 0.2738 | 0.0759 | 0.021* | |
C17 | 0.17007 (12) | 0.32463 (9) | −0.09568 (8) | 0.02177 (16) | |
H17 | 0.1484 | 0.2626 | −0.1496 | 0.026* | |
C18 | 0.28294 (11) | 0.40844 (9) | −0.14991 (8) | 0.02224 (16) | |
H18 | 0.3389 | 0.4026 | −0.2408 | 0.027* | |
C19 | 0.31497 (10) | 0.50087 (9) | −0.07258 (8) | 0.02081 (15) | |
H19 | 0.3926 | 0.5575 | −0.1105 | 0.025* | |
C20 | 0.23279 (10) | 0.50995 (8) | 0.06055 (8) | 0.01756 (13) | |
H20 | 0.2528 | 0.5734 | 0.1139 | 0.021* | |
C21 | 0.88898 (12) | 0.15497 (10) | −0.36255 (8) | 0.02512 (17) | |
H21A | 1.0015 | 0.1534 | −0.3728 | 0.038* | |
H21B | 0.8507 | 0.2381 | −0.3934 | 0.038* | |
H21C | 0.8720 | 0.0847 | −0.4142 | 0.038* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
S1 | 0.02571 (10) | 0.01434 (8) | 0.01500 (8) | 0.00316 (7) | −0.00273 (7) | 0.00127 (6) |
S2 | 0.01041 (7) | 0.01847 (9) | 0.01286 (7) | 0.00014 (6) | −0.00246 (5) | −0.00152 (6) |
O1 | 0.0207 (3) | 0.0199 (3) | 0.0182 (3) | 0.0061 (2) | −0.0052 (2) | −0.0052 (2) |
O2 | 0.0125 (2) | 0.0329 (3) | 0.0214 (3) | −0.0069 (2) | −0.0046 (2) | 0.0027 (2) |
N1 | 0.0123 (2) | 0.0149 (3) | 0.0142 (2) | −0.0011 (2) | −0.0043 (2) | −0.0013 (2) |
N2 | 0.0112 (2) | 0.0130 (2) | 0.0109 (2) | −0.00136 (19) | −0.00131 (19) | −0.00158 (19) |
C1 | 0.0129 (3) | 0.0151 (3) | 0.0147 (3) | −0.0015 (2) | −0.0040 (2) | −0.0021 (2) |
C2 | 0.0129 (3) | 0.0166 (3) | 0.0111 (3) | −0.0004 (2) | −0.0029 (2) | −0.0021 (2) |
C3 | 0.0120 (3) | 0.0142 (3) | 0.0109 (2) | −0.0016 (2) | −0.0013 (2) | 0.0002 (2) |
C4 | 0.0127 (3) | 0.0144 (3) | 0.0153 (3) | −0.0031 (2) | −0.0028 (2) | −0.0002 (2) |
C5 | 0.0141 (3) | 0.0192 (3) | 0.0166 (3) | −0.0002 (2) | −0.0058 (2) | −0.0051 (2) |
C6 | 0.0113 (3) | 0.0160 (3) | 0.0135 (3) | −0.0006 (2) | −0.0033 (2) | −0.0010 (2) |
C7 | 0.0191 (3) | 0.0206 (3) | 0.0173 (3) | 0.0027 (3) | −0.0065 (3) | 0.0002 (3) |
C8 | 0.0157 (3) | 0.0124 (3) | 0.0122 (3) | −0.0009 (2) | −0.0017 (2) | −0.0010 (2) |
C9 | 0.0143 (3) | 0.0139 (3) | 0.0118 (3) | −0.0017 (2) | −0.0018 (2) | −0.0018 (2) |
C10 | 0.0167 (3) | 0.0232 (4) | 0.0148 (3) | 0.0027 (3) | −0.0014 (2) | −0.0003 (3) |
C11 | 0.0168 (3) | 0.0266 (4) | 0.0157 (3) | 0.0007 (3) | 0.0009 (3) | −0.0020 (3) |
C12 | 0.0209 (3) | 0.0180 (3) | 0.0127 (3) | −0.0064 (3) | −0.0009 (2) | −0.0021 (2) |
C13 | 0.0221 (3) | 0.0165 (3) | 0.0136 (3) | −0.0033 (3) | −0.0043 (3) | 0.0003 (2) |
C14 | 0.0167 (3) | 0.0157 (3) | 0.0141 (3) | −0.0008 (2) | −0.0032 (2) | −0.0008 (2) |
C15 | 0.0137 (3) | 0.0159 (3) | 0.0128 (3) | 0.0000 (2) | −0.0041 (2) | −0.0007 (2) |
C16 | 0.0213 (3) | 0.0161 (3) | 0.0168 (3) | −0.0007 (3) | −0.0079 (3) | −0.0018 (2) |
C17 | 0.0294 (4) | 0.0200 (3) | 0.0163 (3) | 0.0046 (3) | −0.0095 (3) | −0.0042 (3) |
C18 | 0.0241 (4) | 0.0258 (4) | 0.0134 (3) | 0.0068 (3) | −0.0036 (3) | 0.0002 (3) |
C19 | 0.0181 (3) | 0.0253 (4) | 0.0166 (3) | −0.0006 (3) | −0.0026 (3) | 0.0047 (3) |
C20 | 0.0170 (3) | 0.0191 (3) | 0.0162 (3) | −0.0027 (3) | −0.0043 (2) | 0.0010 (2) |
C21 | 0.0316 (4) | 0.0264 (4) | 0.0133 (3) | −0.0083 (4) | 0.0013 (3) | −0.0015 (3) |
Geometric parameters (Å, º) top
S1—C7 | 1.8189 (9) | C8—C9 | 1.5234 (10) |
S1—C8 | 1.8697 (8) | C8—H8 | 1.00 |
S2—O1 | 1.4355 (7) | C9—C10 | 1.3916 (11) |
S2—O2 | 1.4356 (7) | C9—C14 | 1.3999 (11) |
S2—N1 | 1.6176 (7) | C10—C11 | 1.3991 (12) |
S2—C15 | 1.7659 (7) | C10—H10 | 0.95 |
N1—C1 | 1.4704 (10) | C11—C12 | 1.3894 (13) |
N1—C4 | 1.4811 (10) | C11—H11 | 0.95 |
N2—C8 | 1.4457 (9) | C12—C13 | 1.3992 (12) |
N2—C6 | 1.4709 (10) | C12—C21 | 1.5070 (12) |
N2—C3 | 1.4751 (9) | C13—C14 | 1.3910 (11) |
C1—C2 | 1.5314 (11) | C13—H13 | 0.95 |
C1—H1A | 0.99 | C14—H14 | 0.95 |
C1—H1B | 0.99 | C15—C16 | 1.3926 (11) |
C2—C3 | 1.5392 (10) | C15—C20 | 1.3967 (11) |
C2—C5 | 1.5425 (11) | C16—C17 | 1.3937 (12) |
C2—H2 | 1.00 | C16—H16 | 0.95 |
C3—C4 | 1.5273 (10) | C17—C18 | 1.3895 (14) |
C3—H3 | 1.00 | C17—H17 | 0.95 |
C4—H4A | 0.99 | C18—C19 | 1.3922 (13) |
C4—H4B | 0.99 | C18—H18 | 0.95 |
C5—C6 | 1.5418 (10) | C19—C20 | 1.3921 (12) |
C5—H5A | 0.99 | C19—H19 | 0.95 |
C5—H5B | 0.99 | C20—H20 | 0.95 |
C6—C7 | 1.5514 (11) | C21—H21A | 0.98 |
C6—H6 | 1.00 | C21—H21B | 0.98 |
C7—H7A | 0.99 | C21—H21C | 0.98 |
C7—H7B | 0.99 | | |
| | | |
C7—S1—C8 | 92.30 (4) | C6—C7—H7B | 110.3 |
O1—S2—O2 | 120.27 (4) | S1—C7—H7B | 110.3 |
O1—S2—N1 | 106.97 (4) | H7A—C7—H7B | 108.6 |
O2—S2—N1 | 106.39 (4) | N2—C8—C9 | 111.73 (6) |
O1—S2—C15 | 108.37 (4) | N2—C8—S1 | 106.13 (5) |
O2—S2—C15 | 107.51 (4) | C9—C8—S1 | 114.25 (5) |
N1—S2—C15 | 106.59 (3) | N2—C8—H8 | 108.2 |
C1—N1—C4 | 111.35 (6) | C9—C8—H8 | 108.2 |
C1—N1—S2 | 121.74 (5) | S1—C8—H8 | 108.2 |
C4—N1—S2 | 118.52 (5) | C10—C9—C14 | 118.29 (7) |
C8—N2—C6 | 109.25 (6) | C10—C9—C8 | 123.83 (7) |
C8—N2—C3 | 115.43 (6) | C14—C9—C8 | 117.79 (6) |
C6—N2—C3 | 105.37 (5) | C9—C10—C11 | 120.60 (8) |
N1—C1—C2 | 102.08 (6) | C9—C10—H10 | 119.7 |
N1—C1—H1A | 111.4 | C11—C10—H10 | 119.7 |
C2—C1—H1A | 111.4 | C12—C11—C10 | 121.44 (8) |
N1—C1—H1B | 111.4 | C12—C11—H11 | 119.3 |
C2—C1—H1B | 111.4 | C10—C11—H11 | 119.3 |
H1A—C1—H1B | 109.2 | C11—C12—C13 | 117.69 (7) |
C1—C2—C3 | 102.64 (6) | C11—C12—C21 | 120.84 (8) |
C1—C2—C5 | 113.66 (6) | C13—C12—C21 | 121.46 (8) |
C3—C2—C5 | 105.20 (6) | C14—C13—C12 | 121.28 (8) |
C1—C2—H2 | 111.6 | C14—C13—H13 | 119.4 |
C3—C2—H2 | 111.6 | C12—C13—H13 | 119.4 |
C5—C2—H2 | 111.6 | C13—C14—C9 | 120.69 (7) |
N2—C3—C4 | 112.10 (6) | C13—C14—H14 | 119.7 |
N2—C3—C2 | 101.32 (6) | C9—C14—H14 | 119.7 |
C4—C3—C2 | 106.54 (6) | C16—C15—C20 | 121.29 (7) |
N2—C3—H3 | 112.1 | C16—C15—S2 | 120.03 (6) |
C4—C3—H3 | 112.1 | C20—C15—S2 | 118.66 (6) |
C2—C3—H3 | 112.1 | C15—C16—C17 | 119.00 (8) |
N1—C4—C3 | 103.60 (6) | C15—C16—H16 | 120.5 |
N1—C4—H4A | 111.0 | C17—C16—H16 | 120.5 |
C3—C4—H4A | 111.0 | C18—C17—C16 | 120.01 (8) |
N1—C4—H4B | 111.0 | C18—C17—H17 | 120.0 |
C3—C4—H4B | 111.0 | C16—C17—H17 | 120.0 |
H4A—C4—H4B | 109.0 | C17—C18—C19 | 120.76 (8) |
C6—C5—C2 | 104.44 (6) | C17—C18—H18 | 119.6 |
C6—C5—H5A | 110.9 | C19—C18—H18 | 119.6 |
C2—C5—H5A | 110.9 | C20—C19—C18 | 119.76 (8) |
C6—C5—H5B | 110.9 | C20—C19—H19 | 120.1 |
C2—C5—H5B | 110.9 | C18—C19—H19 | 120.1 |
H5A—C5—H5B | 108.9 | C19—C20—C15 | 119.17 (8) |
N2—C6—C5 | 104.25 (6) | C19—C20—H20 | 120.4 |
N2—C6—C7 | 108.54 (6) | C15—C20—H20 | 120.4 |
C5—C6—C7 | 112.71 (6) | C12—C21—H21A | 109.5 |
N2—C6—H6 | 110.4 | C12—C21—H21B | 109.5 |
C5—C6—H6 | 110.4 | H21A—C21—H21B | 109.5 |
C7—C6—H6 | 110.4 | C12—C21—H21C | 109.5 |
C6—C7—S1 | 106.94 (5) | H21A—C21—H21C | 109.5 |
C6—C7—H7A | 110.3 | H21B—C21—H21C | 109.5 |
S1—C7—H7A | 110.3 | | |
| | | |
O1—S2—N1—C1 | −34.42 (7) | C3—N2—C8—C9 | 156.82 (6) |
O2—S2—N1—C1 | −164.15 (6) | C6—N2—C8—S1 | 40.44 (7) |
C15—S2—N1—C1 | 81.34 (6) | C3—N2—C8—S1 | −78.05 (6) |
O1—S2—N1—C4 | −179.84 (5) | C7—S1—C8—N2 | −21.24 (5) |
O2—S2—N1—C4 | 50.44 (6) | C7—S1—C8—C9 | 102.33 (6) |
C15—S2—N1—C4 | −64.07 (6) | N2—C8—C9—C10 | 124.87 (8) |
C4—N1—C1—C2 | −31.20 (7) | S1—C8—C9—C10 | 4.38 (10) |
S2—N1—C1—C2 | −178.82 (5) | N2—C8—C9—C14 | −58.50 (9) |
N1—C1—C2—C3 | 36.58 (7) | S1—C8—C9—C14 | −178.99 (6) |
N1—C1—C2—C5 | 149.64 (6) | C14—C9—C10—C11 | 0.18 (12) |
C8—N2—C3—C4 | −81.44 (8) | C8—C9—C10—C11 | 176.80 (8) |
C6—N2—C3—C4 | 157.94 (6) | C9—C10—C11—C12 | −0.89 (14) |
C8—N2—C3—C2 | 165.31 (6) | C10—C11—C12—C13 | 0.88 (13) |
C6—N2—C3—C2 | 44.70 (7) | C10—C11—C12—C21 | −178.26 (8) |
C1—C2—C3—N2 | 86.81 (6) | C11—C12—C13—C14 | −0.19 (12) |
C5—C2—C3—N2 | −32.35 (7) | C21—C12—C13—C14 | 178.93 (8) |
C1—C2—C3—C4 | −30.56 (7) | C12—C13—C14—C9 | −0.49 (12) |
C5—C2—C3—C4 | −149.72 (6) | C10—C9—C14—C13 | 0.49 (12) |
C1—N1—C4—C3 | 12.11 (8) | C8—C9—C14—C13 | −176.33 (7) |
S2—N1—C4—C3 | 160.89 (5) | O1—S2—C15—C16 | −145.01 (7) |
N2—C3—C4—N1 | −97.82 (7) | O2—S2—C15—C16 | −13.58 (8) |
C2—C3—C4—N1 | 12.16 (7) | N1—S2—C15—C16 | 100.17 (7) |
C1—C2—C5—C6 | −102.20 (7) | O1—S2—C15—C20 | 36.80 (7) |
C3—C2—C5—C6 | 9.31 (8) | O2—S2—C15—C20 | 168.23 (6) |
C8—N2—C6—C5 | −163.96 (6) | N1—S2—C15—C20 | −78.02 (7) |
C3—N2—C6—C5 | −39.37 (7) | C20—C15—C16—C17 | −0.29 (12) |
C8—N2—C6—C7 | −43.61 (8) | S2—C15—C16—C17 | −178.44 (6) |
C3—N2—C6—C7 | 80.98 (7) | C15—C16—C17—C18 | 0.93 (13) |
C2—C5—C6—N2 | 17.40 (8) | C16—C17—C18—C19 | −0.69 (13) |
C2—C5—C6—C7 | −100.11 (7) | C17—C18—C19—C20 | −0.21 (13) |
N2—C6—C7—S1 | 25.42 (7) | C18—C19—C20—C15 | 0.84 (13) |
C5—C6—C7—S1 | 140.37 (6) | C16—C15—C20—C19 | −0.60 (12) |
C8—S1—C7—C6 | −2.37 (6) | S2—C15—C20—C19 | 177.57 (6) |
C6—N2—C8—C9 | −84.70 (7) | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C10—H10···S1 | 0.95 | 2.66 | 3.1166 (8) | 110 |
C16—H16···O2 | 0.95 | 2.54 | 2.9152 (11) | 103 |
C14—H14···Cg1 | 0.95 | 2.98 | 3.8372 (9) | 152 |
C6—H6···O2i | 1.00 | 2.38 | 2.9791 (10) | 118 |
C8—H8···Cg2ii | 1.00 | 2.69 | 3.6178 (9) | 154 |
Symmetry codes: (i) x+1, y, z; (ii) −x+1, −y, −z. |