The title molecule, C27H36N2O6Si, contains a pair of fused tetrahydrofuran rings, symmetrically substituted by p-nitrophenyl groups at centres of R chirality. The crystal structure is composed of dimers interacting through π-stacking to form columns.
Supporting information
CCDC reference: 180811
Key indicators
- Single-crystal X-ray study
- T = 120 K
- Mean (C-C) = 0.002 Å
- R factor = 0.045
- wR factor = 0.128
- Data-to-parameter ratio = 17.8
checkCIF results
No syntax errors found
ADDSYM reports no extra symmetry
Data collection: DENZO (Hooft, 1998) and COLLECT (Otwinowski & Minor, 1997); cell refinement: DENZO and COLLECT; data reduction: DENZO and COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1990); software used to prepare material for publication: SHELXL97 and PLATON.
Crystal data top
C27H36N2O6Si | Z = 2 |
Mr = 512.67 | F(000) = 548 |
Triclinic, P1 | Dx = 1.307 Mg m−3 |
a = 7.9703 (16) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.128 (2) Å | Cell parameters from 9132 reflections |
c = 14.121 (3) Å | θ = 2.9–27.5° |
α = 79.14 (3)° | µ = 0.14 mm−1 |
β = 83.06 (3)° | T = 120 K |
γ = 77.29 (3)° | Block, colourless |
V = 1303.2 (4) Å3 | 0.38 × 0.14 × 0.06 mm |
Data collection top
Nonius KappaCCD diffractometer | 4879 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.050 |
Absorption correction: multi-scan (SORTAV; Blessing, 1997) | θmax = 27.5°, θmin = 3.0° |
Tmin = 0.951, Tmax = 0.992 | h = −10→10 |
19904 measured reflections | k = −15→15 |
5893 independent reflections | l = −18→18 |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.045 | w = 1/[σ2(Fo2) + (0.0702P)2 + 0.5256P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.128 | (Δ/σ)max = 0.023 |
S = 1.02 | Δρmax = 0.67 e Å−3 |
5893 reflections | Δρmin = −0.37 e Å−3 |
332 parameters | |
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
C1 | 0.19127 (18) | 0.81773 (12) | 0.24030 (10) | 0.0169 (3) | |
C2 | 0.31726 (19) | 0.70920 (12) | 0.28815 (11) | 0.0186 (3) | |
H2 | 0.4103 | 0.7328 | 0.3165 | 0.022* | |
C3 | 0.04386 (19) | 0.67705 (13) | 0.33902 (11) | 0.0202 (3) | |
H3 | 0.0284 | 0.636 | 0.2865 | 0.024* | |
C4 | 0.01894 (18) | 0.80596 (12) | 0.30108 (11) | 0.0190 (3) | |
H4A | −0.0001 | 0.8502 | 0.355 | 0.023* | |
H4B | −0.0799 | 0.8326 | 0.2605 | 0.023* | |
C5 | 0.34403 (19) | 0.69788 (13) | 0.12162 (11) | 0.0199 (3) | |
H5 | 0.4407 | 0.7335 | 0.0864 | 0.024* | |
C6 | 0.18500 (19) | 0.79205 (12) | 0.13737 (11) | 0.0184 (3) | |
H6A | 0.0779 | 0.7654 | 0.1329 | 0.022* | |
H6B | 0.1891 | 0.8616 | 0.0883 | 0.022* | |
C7 | −0.0787 (2) | 0.65004 (13) | 0.42593 (11) | 0.0217 (3) | |
C8 | −0.0426 (2) | 0.65256 (13) | 0.51978 (12) | 0.0246 (3) | |
H8 | 0.0686 | 0.6608 | 0.5314 | 0.029* | |
C9 | −0.1684 (2) | 0.64306 (13) | 0.59587 (12) | 0.0261 (4) | |
H9 | −0.145 | 0.6453 | 0.6598 | 0.031* | |
C10 | −0.3293 (2) | 0.63023 (13) | 0.57713 (12) | 0.0246 (3) | |
C11 | −0.3662 (2) | 0.62176 (14) | 0.48604 (12) | 0.0261 (3) | |
H11 | −0.4757 | 0.6096 | 0.4754 | 0.031* | |
C12 | −0.2393 (2) | 0.63155 (14) | 0.41051 (12) | 0.0245 (3) | |
H12 | −0.2618 | 0.6256 | 0.3473 | 0.029* | |
C13 | 0.30829 (18) | 0.61183 (13) | 0.06597 (11) | 0.0179 (3) | |
C14 | 0.33627 (18) | 0.62753 (13) | −0.03453 (11) | 0.0197 (3) | |
H14 | 0.385 | 0.6903 | −0.0678 | 0.024* | |
C15 | 0.29371 (19) | 0.55254 (14) | −0.08670 (11) | 0.0210 (3) | |
H15 | 0.3106 | 0.5638 | −0.1553 | 0.025* | |
C16 | 0.22599 (18) | 0.46094 (13) | −0.03533 (11) | 0.0201 (3) | |
C17 | 0.19931 (19) | 0.44168 (13) | 0.06449 (11) | 0.0209 (3) | |
H17 | 0.1542 | 0.3773 | 0.0976 | 0.025* | |
C18 | 0.23984 (19) | 0.51823 (13) | 0.11482 (11) | 0.0194 (3) | |
H18 | 0.2209 | 0.5071 | 0.1834 | 0.023* | |
C19 | 0.4367 (2) | 0.97993 (13) | 0.14535 (12) | 0.0224 (3) | |
H19 | 0.4038 | 0.9572 | 0.0867 | 0.027* | |
C20 | 0.6085 (2) | 0.90035 (16) | 0.17067 (15) | 0.0341 (4) | |
H20A | 0.6937 | 0.9067 | 0.1148 | 0.051* | |
H20B | 0.5922 | 0.821 | 0.1877 | 0.051* | |
H20C | 0.6497 | 0.9223 | 0.2257 | 0.051* | |
C21 | 0.4645 (2) | 1.10360 (15) | 0.11479 (14) | 0.0308 (4) | |
H21A | 0.4881 | 1.132 | 0.1713 | 0.046* | |
H21B | 0.3605 | 1.1525 | 0.0876 | 0.046* | |
H21C | 0.5627 | 1.1051 | 0.0659 | 0.046* | |
C22 | 0.0700 (2) | 1.08596 (14) | 0.21359 (13) | 0.0273 (4) | |
H22 | 0.1213 | 1.1559 | 0.2038 | 0.033* | |
C23 | 0.0003 (2) | 1.08686 (15) | 0.11646 (14) | 0.0332 (4) | |
H23A | −0.0558 | 1.0214 | 0.122 | 0.05* | |
H23B | 0.096 | 1.0815 | 0.0659 | 0.05* | |
H23C | −0.0837 | 1.1583 | 0.0996 | 0.05* | |
C24 | −0.0799 (3) | 1.10447 (17) | 0.29217 (16) | 0.0442 (5) | |
H24A | −0.1589 | 1.1773 | 0.2721 | 0.066* | |
H24B | −0.0342 | 1.1065 | 0.3531 | 0.066* | |
H24C | −0.1421 | 1.0415 | 0.3014 | 0.066* | |
C25 | 0.3409 (3) | 0.95501 (15) | 0.36494 (13) | 0.0329 (4) | |
H25 | 0.4612 | 0.9087 | 0.3614 | 0.04* | |
C26 | 0.3579 (4) | 1.07440 (17) | 0.37917 (15) | 0.0501 (6) | |
H26A | 0.2453 | 1.1268 | 0.3745 | 0.075* | |
H26B | 0.4411 | 1.1033 | 0.329 | 0.075* | |
H26C | 0.3981 | 1.0693 | 0.4431 | 0.075* | |
C27 | 0.2487 (3) | 0.89806 (18) | 0.45464 (13) | 0.0397 (5) | |
H27A | 0.3084 | 0.8976 | 0.5115 | 0.06* | |
H27B | 0.2483 | 0.8191 | 0.4482 | 0.06* | |
H27C | 0.1295 | 0.9406 | 0.4624 | 0.06* | |
N1 | −0.4682 (2) | 0.62935 (12) | 0.65594 (10) | 0.0301 (3) | |
N2 | 0.17936 (17) | 0.38074 (12) | −0.08868 (11) | 0.0269 (3) | |
O1 | 0.22103 (14) | 0.64699 (9) | 0.36191 (8) | 0.0238 (3) | |
O2 | 0.39047 (14) | 0.64166 (10) | 0.21635 (8) | 0.0250 (3) | |
O3 | −0.44662 (18) | 0.65988 (11) | 0.73097 (9) | 0.0369 (3) | |
O4 | −0.60067 (18) | 0.60044 (14) | 0.64261 (10) | 0.0456 (4) | |
O5 | 0.17938 (17) | 0.40609 (13) | −0.17666 (10) | 0.0384 (3) | |
O6 | 0.14076 (17) | 0.29202 (11) | −0.04211 (11) | 0.0383 (3) | |
Si1 | 0.25547 (5) | 0.96039 (3) | 0.24340 (3) | 0.01786 (13) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.0148 (7) | 0.0168 (7) | 0.0192 (7) | −0.0024 (5) | −0.0047 (5) | −0.0023 (5) |
C2 | 0.0178 (7) | 0.0169 (7) | 0.0220 (7) | −0.0041 (5) | −0.0049 (6) | −0.0031 (6) |
C3 | 0.0178 (7) | 0.0188 (7) | 0.0244 (8) | −0.0048 (6) | −0.0034 (6) | −0.0028 (6) |
C4 | 0.0152 (7) | 0.0183 (7) | 0.0226 (8) | −0.0024 (5) | −0.0034 (5) | −0.0011 (6) |
C5 | 0.0174 (7) | 0.0207 (7) | 0.0224 (8) | −0.0042 (6) | −0.0029 (6) | −0.0048 (6) |
C6 | 0.0181 (7) | 0.0167 (7) | 0.0212 (7) | −0.0035 (5) | −0.0048 (6) | −0.0032 (6) |
C7 | 0.0249 (8) | 0.0150 (7) | 0.0249 (8) | −0.0051 (6) | −0.0015 (6) | −0.0020 (6) |
C8 | 0.0277 (8) | 0.0200 (8) | 0.0270 (8) | −0.0084 (6) | −0.0047 (6) | −0.0007 (6) |
C9 | 0.0358 (9) | 0.0198 (8) | 0.0229 (8) | −0.0084 (7) | −0.0049 (7) | 0.0003 (6) |
C10 | 0.0288 (8) | 0.0181 (7) | 0.0240 (8) | −0.0059 (6) | 0.0021 (6) | 0.0026 (6) |
C11 | 0.0246 (8) | 0.0253 (8) | 0.0274 (8) | −0.0086 (6) | −0.0029 (6) | 0.0023 (6) |
C12 | 0.0259 (8) | 0.0261 (8) | 0.0219 (8) | −0.0080 (6) | −0.0030 (6) | −0.0012 (6) |
C13 | 0.0127 (6) | 0.0187 (7) | 0.0222 (7) | −0.0017 (5) | −0.0015 (5) | −0.0049 (6) |
C14 | 0.0167 (7) | 0.0184 (7) | 0.0230 (8) | −0.0042 (5) | −0.0001 (6) | −0.0018 (6) |
C15 | 0.0176 (7) | 0.0263 (8) | 0.0188 (7) | −0.0031 (6) | −0.0002 (6) | −0.0055 (6) |
C16 | 0.0124 (6) | 0.0201 (7) | 0.0293 (8) | −0.0009 (5) | −0.0034 (6) | −0.0100 (6) |
C17 | 0.0158 (7) | 0.0182 (7) | 0.0282 (8) | −0.0042 (6) | −0.0015 (6) | −0.0020 (6) |
C18 | 0.0173 (7) | 0.0199 (7) | 0.0198 (7) | −0.0035 (6) | −0.0004 (5) | −0.0011 (6) |
C19 | 0.0197 (7) | 0.0206 (8) | 0.0289 (8) | −0.0074 (6) | −0.0030 (6) | −0.0050 (6) |
C20 | 0.0202 (8) | 0.0296 (9) | 0.0519 (12) | −0.0040 (7) | −0.0018 (7) | −0.0071 (8) |
C21 | 0.0301 (9) | 0.0252 (9) | 0.0384 (10) | −0.0125 (7) | 0.0026 (7) | −0.0039 (7) |
C22 | 0.0256 (8) | 0.0172 (8) | 0.0351 (9) | −0.0006 (6) | 0.0000 (7) | −0.0009 (7) |
C23 | 0.0260 (8) | 0.0259 (9) | 0.0430 (11) | 0.0002 (7) | −0.0105 (7) | 0.0045 (7) |
C24 | 0.0366 (10) | 0.0307 (10) | 0.0546 (13) | 0.0055 (8) | 0.0120 (9) | −0.0047 (9) |
C25 | 0.0498 (11) | 0.0253 (9) | 0.0282 (9) | −0.0140 (8) | −0.0094 (8) | −0.0041 (7) |
C26 | 0.0944 (18) | 0.0320 (11) | 0.0351 (11) | −0.0276 (11) | −0.0218 (11) | −0.0057 (8) |
C27 | 0.0534 (12) | 0.0425 (11) | 0.0274 (10) | −0.0168 (9) | −0.0063 (8) | −0.0060 (8) |
N1 | 0.0356 (8) | 0.0259 (7) | 0.0243 (8) | −0.0073 (6) | 0.0027 (6) | 0.0052 (6) |
N2 | 0.0164 (6) | 0.0314 (8) | 0.0368 (8) | −0.0030 (5) | −0.0033 (6) | −0.0164 (6) |
O1 | 0.0195 (5) | 0.0192 (5) | 0.0298 (6) | −0.0032 (4) | −0.0051 (4) | 0.0044 (4) |
O2 | 0.0249 (6) | 0.0239 (6) | 0.0245 (6) | 0.0066 (4) | −0.0106 (4) | −0.0082 (5) |
O3 | 0.0501 (8) | 0.0351 (7) | 0.0224 (6) | −0.0105 (6) | 0.0051 (6) | −0.0001 (5) |
O4 | 0.0346 (8) | 0.0649 (10) | 0.0368 (8) | −0.0204 (7) | 0.0055 (6) | −0.0007 (7) |
O5 | 0.0334 (7) | 0.0568 (9) | 0.0336 (7) | −0.0163 (6) | 0.0015 (5) | −0.0233 (6) |
O6 | 0.0393 (7) | 0.0236 (6) | 0.0584 (9) | −0.0105 (5) | −0.0163 (6) | −0.0100 (6) |
Si1 | 0.0197 (2) | 0.0145 (2) | 0.0198 (2) | −0.00336 (15) | −0.00414 (15) | −0.00249 (15) |
Geometric parameters (Å, º) top
C1—C4 | 1.549 (2) | C17—C18 | 1.381 (2) |
C1—C6 | 1.551 (2) | C17—H17 | 0.95 |
C1—C2 | 1.564 (2) | C18—H18 | 0.95 |
C1—Si1 | 1.9186 (15) | C19—C20 | 1.530 (2) |
C2—O2 | 1.4138 (19) | C19—C21 | 1.538 (2) |
C2—O1 | 1.4169 (19) | C19—Si1 | 1.8980 (17) |
C2—H2 | 1 | C19—H19 | 1 |
C3—O1 | 1.4391 (18) | C20—H20A | 0.98 |
C3—C7 | 1.506 (2) | C20—H20B | 0.98 |
C3—C4 | 1.531 (2) | C20—H20C | 0.98 |
C3—H3 | 1 | C21—H21A | 0.98 |
C4—H4A | 0.99 | C21—H21B | 0.98 |
C4—H4B | 0.99 | C21—H21C | 0.98 |
C5—O2 | 1.4339 (19) | C22—C24 | 1.537 (3) |
C5—C13 | 1.510 (2) | C22—C23 | 1.538 (3) |
C5—C6 | 1.533 (2) | C22—Si1 | 1.8975 (18) |
C5—H5 | 1 | C22—H22 | 1 |
C6—H6A | 0.99 | C23—H23A | 0.98 |
C6—H6B | 0.99 | C23—H23B | 0.98 |
C7—C8 | 1.397 (2) | C23—H23C | 0.98 |
C7—C12 | 1.395 (2) | C24—H24A | 0.98 |
C8—C9 | 1.385 (2) | C24—H24B | 0.98 |
C8—H8 | 0.95 | C24—H24C | 0.98 |
C9—C10 | 1.387 (2) | C25—C27 | 1.513 (3) |
C9—H9 | 0.95 | C25—C26 | 1.536 (2) |
C10—C11 | 1.381 (2) | C25—Si1 | 1.9061 (18) |
C10—N1 | 1.472 (2) | C25—H25 | 1 |
C11—C12 | 1.386 (2) | C26—H26A | 0.98 |
C11—H11 | 0.95 | C26—H26B | 0.98 |
C12—H12 | 0.95 | C26—H26C | 0.98 |
C13—C14 | 1.393 (2) | C27—H27A | 0.98 |
C13—C18 | 1.396 (2) | C27—H27B | 0.98 |
C14—C15 | 1.391 (2) | C27—H27C | 0.98 |
C14—H14 | 0.95 | N1—O3 | 1.229 (2) |
C15—C16 | 1.385 (2) | N1—O4 | 1.228 (2) |
C15—H15 | 0.95 | N2—O5 | 1.222 (2) |
C16—C17 | 1.383 (2) | N2—O6 | 1.231 (2) |
C16—N2 | 1.468 (2) | | |
| | | |
C4—C1—C6 | 109.80 (12) | C17—C18—H18 | 119.7 |
C4—C1—C2 | 101.54 (12) | C13—C18—H18 | 119.7 |
C6—C1—C2 | 102.77 (12) | C20—C19—C21 | 109.23 (13) |
C4—C1—Si1 | 112.28 (10) | C20—C19—Si1 | 112.69 (12) |
C6—C1—Si1 | 114.81 (10) | C21—C19—Si1 | 115.11 (12) |
C2—C1—Si1 | 114.49 (10) | C20—C19—H19 | 106.4 |
O2—C2—O1 | 110.25 (12) | C21—C19—H19 | 106.4 |
O2—C2—C1 | 108.49 (12) | Si1—C19—H19 | 106.4 |
O1—C2—C1 | 108.19 (12) | C19—C20—H20A | 109.5 |
O2—C2—H2 | 110 | C19—C20—H20B | 109.5 |
O1—C2—H2 | 110 | H20A—C20—H20B | 109.5 |
C1—C2—H2 | 110 | C19—C20—H20C | 109.5 |
O1—C3—C7 | 112.24 (13) | H20A—C20—H20C | 109.5 |
O1—C3—C4 | 102.82 (12) | H20B—C20—H20C | 109.5 |
C7—C3—C4 | 112.14 (13) | C19—C21—H21A | 109.5 |
O1—C3—H3 | 109.8 | C19—C21—H21B | 109.5 |
C7—C3—H3 | 109.8 | H21A—C21—H21B | 109.5 |
C4—C3—H3 | 109.8 | C19—C21—H21C | 109.5 |
C3—C4—C1 | 103.18 (12) | H21A—C21—H21C | 109.5 |
C3—C4—H4A | 111.1 | H21B—C21—H21C | 109.5 |
C1—C4—H4A | 111.1 | C24—C22—C23 | 110.25 (16) |
C3—C4—H4B | 111.1 | C24—C22—Si1 | 117.14 (13) |
C1—C4—H4B | 111.1 | C23—C22—Si1 | 112.24 (12) |
H4A—C4—H4B | 109.1 | C24—C22—H22 | 105.4 |
O2—C5—C13 | 109.71 (12) | C23—C22—H22 | 105.4 |
O2—C5—C6 | 105.91 (12) | Si1—C22—H22 | 105.4 |
C13—C5—C6 | 112.50 (12) | C22—C23—H23A | 109.5 |
O2—C5—H5 | 109.5 | C22—C23—H23B | 109.5 |
C13—C5—H5 | 109.5 | H23A—C23—H23B | 109.5 |
C6—C5—H5 | 109.5 | C22—C23—H23C | 109.5 |
C5—C6—C1 | 105.75 (12) | H23A—C23—H23C | 109.5 |
C5—C6—H6A | 110.6 | H23B—C23—H23C | 109.5 |
C1—C6—H6A | 110.6 | C22—C24—H24A | 109.5 |
C5—C6—H6B | 110.6 | C22—C24—H24B | 109.5 |
C1—C6—H6B | 110.6 | H24A—C24—H24B | 109.5 |
H6A—C6—H6B | 108.7 | C22—C24—H24C | 109.5 |
C8—C7—C12 | 119.40 (15) | H24A—C24—H24C | 109.5 |
C8—C7—C3 | 122.13 (14) | H24B—C24—H24C | 109.5 |
C12—C7—C3 | 118.25 (14) | C27—C25—C26 | 109.54 (17) |
C9—C8—C7 | 120.13 (15) | C27—C25—Si1 | 117.65 (13) |
C9—C8—H8 | 119.9 | C26—C25—Si1 | 111.40 (13) |
C7—C8—H8 | 119.9 | C27—C25—H25 | 105.8 |
C8—C9—C10 | 118.84 (15) | C26—C25—H25 | 105.8 |
C8—C9—H9 | 120.6 | Si1—C25—H25 | 105.8 |
C10—C9—H9 | 120.6 | C25—C26—H26A | 109.5 |
C11—C10—C9 | 122.36 (15) | C25—C26—H26B | 109.5 |
C11—C10—N1 | 118.33 (15) | H26A—C26—H26B | 109.5 |
C9—C10—N1 | 119.28 (15) | C25—C26—H26C | 109.5 |
C10—C11—C12 | 118.17 (15) | H26A—C26—H26C | 109.5 |
C10—C11—H11 | 120.9 | H26B—C26—H26C | 109.5 |
C12—C11—H11 | 120.9 | C25—C27—H27A | 109.5 |
C11—C12—C7 | 120.95 (15) | C25—C27—H27B | 109.5 |
C11—C12—H12 | 119.5 | H27A—C27—H27B | 109.5 |
C7—C12—H12 | 119.5 | C25—C27—H27C | 109.5 |
C14—C13—C18 | 119.40 (14) | H27A—C27—H27C | 109.5 |
C14—C13—C5 | 120.52 (13) | H27B—C27—H27C | 109.5 |
C18—C13—C5 | 120.02 (13) | O3—N1—O4 | 123.48 (15) |
C15—C14—C13 | 120.84 (14) | O3—N1—C10 | 118.06 (15) |
C15—C14—H14 | 119.6 | O4—N1—C10 | 118.44 (15) |
C13—C14—H14 | 119.6 | O5—N2—O6 | 123.60 (15) |
C16—C15—C14 | 117.81 (14) | O5—N2—C16 | 118.33 (14) |
C16—C15—H15 | 121.1 | O6—N2—C16 | 118.07 (14) |
C14—C15—H15 | 121.1 | C2—O1—C3 | 107.52 (11) |
C15—C16—C17 | 122.86 (14) | C2—O2—C5 | 112.11 (11) |
C15—C16—N2 | 118.90 (14) | C19—Si1—C22 | 106.57 (8) |
C17—C16—N2 | 118.24 (14) | C19—Si1—C25 | 107.94 (8) |
C18—C17—C16 | 118.40 (14) | C22—Si1—C25 | 113.16 (9) |
C18—C17—H17 | 120.8 | C19—Si1—C1 | 108.20 (7) |
C16—C17—H17 | 120.8 | C22—Si1—C1 | 111.10 (7) |
C17—C18—C13 | 120.67 (14) | C25—Si1—C1 | 109.67 (7) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C6—H6A···O6i | 0.99 | 2.56 | 3.481 (2) | 154 |
C12—H12···O5i | 0.95 | 2.50 | 3.381 (2) | 155 |
Symmetry code: (i) −x, −y+1, −z. |