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The mol­ecule of the title compound, C29H35ClO15S, possesses normal geometric parameters. Inter­molecular C—H...O hydrogen-bond interactions are responsible for the supra­molecular assembly of the complex molecules into a three-dimensional framework.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807003133/wk2040sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807003133/wk2040Isup2.hkl
Contains datablock I

CCDC reference: 643129

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](Wave) = 0.000 Å
  • R factor = 0.053
  • wR factor = 0.155
  • Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found



Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.48 From the CIF: _reflns_number_total 7807 Count of symmetry unique reflns 4215 Completeness (_total/calc) 185.22% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3592 Fraction of Friedel pairs measured 0.852 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 0 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003; molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: CrystalStructure and PLATON (Spek, 2003).

Phenyl 2,3-di-O-acetyl-4-O-(2-chloroacetyl)-6-O-(2,3,4-tri-O-acetyl- β-D-xylopyranosyl)-1-thio-β-D-glucopyranoside top
Crystal data top
C29H35ClO15SF(000) = 724
Mr = 691.09Dx = 1.304 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 4157 reflections
a = 10.094 (2) Åθ = 3.1–27.5°
b = 13.915 (3) ŵ = 0.23 mm1
c = 12.628 (3) ÅT = 295 K
β = 96.96 (3)°Block, colourless
V = 1760.6 (7) Å30.48 × 0.45 × 0.40 mm
Z = 2
Data collection top
Rigaku R-AXIS RAPID
diffractometer
7807 independent reflections
Radiation source: fine-focus sealed tube5360 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.027
Detector resolution: 0 pixels mm-1θmax = 27.5°, θmin = 3.1°
ω scansh = 1312
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1818
Tmin = 0.894, Tmax = 0.911l = 1516
17038 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.053H-atom parameters constrained
wR(F2) = 0.155 w = 1/[σ2(Fo2) + (0.0908P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max < 0.001
7807 reflectionsΔρmax = 0.24 e Å3
416 parametersΔρmin = 0.33 e Å3
13 restraintsAbsolute structure: Flack (1983), with how many Friedel pairs?
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.03 (9)
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
xyzUiso*/UeqOcc. (<1)
Cl0.67186 (19)0.61035 (19)0.72539 (10)0.1525 (8)
S0.64977 (9)0.44853 (8)0.01583 (7)0.0712 (3)
O10.9472 (3)0.1038 (4)0.2738 (3)0.1249 (15)
O20.74861 (19)0.08497 (15)0.33021 (17)0.0546 (5)
O30.7346 (3)0.1311 (2)0.5372 (3)0.1026 (11)
O40.88041 (19)0.01488 (16)0.5083 (2)0.0636 (6)
O51.0021 (3)0.0397 (4)0.7729 (3)0.1264 (15)
O60.7872 (2)0.0471 (2)0.7100 (2)0.0744 (7)
O70.5401 (2)0.5550 (3)0.5167 (2)0.0853 (8)
O80.71799 (18)0.57198 (16)0.42968 (15)0.0542 (5)
O90.7567 (3)0.8015 (2)0.2751 (3)0.0939 (9)
O100.58501 (18)0.69964 (14)0.27197 (16)0.0512 (5)
O110.4564 (4)0.6646 (3)0.0181 (3)0.1345 (15)
O120.6583 (2)0.65831 (16)0.06713 (16)0.0595 (5)
O130.7480 (2)0.25943 (14)0.54517 (17)0.0571 (5)
O140.7327 (2)0.28459 (14)0.36716 (16)0.0514 (5)
O150.6492 (2)0.42291 (14)0.19170 (16)0.0523 (5)
C10.7727 (5)0.0310 (3)0.1588 (3)0.0946 (13)
H1A0.82990.03810.10390.142*
H1B0.68850.06140.13670.142*
H1C0.75880.03600.17140.142*
C20.8357 (4)0.0765 (3)0.2578 (3)0.0705 (9)
C30.9561 (5)0.1724 (4)0.5024 (6)0.119 (2)
H3A0.92340.23680.49110.179*
H3B1.02120.17060.56450.179*
H3C0.99650.15160.44130.179*
C40.8431 (4)0.1073 (3)0.5184 (4)0.0784 (11)
C50.8425 (8)0.0438 (6)0.8633 (5)0.156 (3)
H5A0.90410.04070.92740.234*
H5B0.83520.10910.83860.234*
H5C0.75650.02140.87780.234*
C60.8915 (5)0.0179 (3)0.7798 (3)0.0838 (12)
C70.7415 (4)0.6205 (4)0.6064 (3)0.0869 (12)
H7A0.75720.68770.59210.104*
H7B0.82680.58750.61320.104*
C80.6525 (3)0.5787 (2)0.5157 (2)0.0544 (7)
C90.5397 (4)0.8609 (3)0.3012 (4)0.0816 (11)
H9A0.57930.92380.30330.122*
H9B0.50740.84780.36810.122*
H9C0.46680.85840.24490.122*
C100.6421 (3)0.7875 (2)0.2813 (3)0.0587 (7)
C110.6182 (6)0.7748 (4)0.0647 (4)0.1082 (17)
H11A0.55800.78770.12800.162*
H11B0.70380.75690.08420.162*
H11C0.62750.83150.02100.162*
C120.5650 (4)0.6959 (3)0.0048 (3)0.0766 (10)
C130.8446 (9)0.4058 (9)0.1296 (8)0.079 (3)*0.496 (19)
H13A0.81590.45850.17160.095*0.496 (19)
C140.9501 (9)0.3490 (8)0.1508 (8)0.082 (3)*0.496 (19)
H14A0.99430.36420.20910.098*0.496 (19)
C150.9927 (8)0.2709 (7)0.0893 (9)0.068 (3)*0.496 (19)
H15A1.06390.23380.10600.081*0.496 (19)
C160.9278 (9)0.2483 (7)0.0022 (10)0.086 (3)*0.496 (19)
H16A0.95840.19760.04210.103*0.496 (19)
C170.8167 (10)0.3013 (6)0.0199 (10)0.074 (3)*0.496 (19)
H17A0.76730.28390.07440.089*0.496 (19)
C180.7848 (8)0.3792 (6)0.0423 (8)0.059 (3)*0.496 (19)
C13'0.8647 (9)0.3753 (8)0.1124 (8)0.074 (3)*0.504 (19)
H13B0.83920.42140.16430.089*0.504 (19)
C14'0.9707 (9)0.3142 (9)0.1275 (8)0.075 (3)*0.504 (19)
H14B1.01320.31790.18870.090*0.504 (19)
C15'1.0098 (9)0.2483 (7)0.0487 (9)0.078 (3)*0.504 (19)
H15B1.07740.20500.05860.093*0.504 (19)
C16'0.9525 (9)0.2446 (7)0.0434 (11)0.085 (3)*0.504 (19)
H16B0.98480.20240.09760.103*0.504 (19)
C17'0.8459 (9)0.3041 (5)0.0554 (9)0.069 (2)*0.504 (19)
H17B0.80670.29960.11820.083*0.504 (19)
C18'0.7936 (9)0.3706 (7)0.0211 (9)0.068 (3)*0.504 (19)
C190.7938 (3)0.1301 (2)0.4299 (2)0.0479 (6)
H19A0.88720.14970.43030.058*
C200.7836 (3)0.0590 (2)0.5190 (2)0.0508 (7)
H20A0.69370.03130.51310.061*
C210.8159 (3)0.1097 (2)0.6257 (2)0.0545 (7)
H21A0.91000.12890.63620.065*
C220.7273 (3)0.1966 (3)0.6301 (3)0.0610 (8)
H22A0.63450.17690.62370.073*
H22B0.74860.22940.69790.073*
C230.7092 (3)0.2180 (2)0.4438 (2)0.0485 (6)
H23A0.61450.20060.43630.058*
C240.6492 (3)0.3674 (2)0.3689 (3)0.0577 (7)
H24A0.65050.39020.44160.069*
H24B0.55790.35070.34210.069*
C250.6984 (3)0.4449 (2)0.3009 (2)0.0478 (6)
H25A0.79620.44590.31010.057*
C260.6446 (3)0.5424 (2)0.3300 (2)0.0446 (6)
H26A0.54950.53720.33780.054*
C270.6656 (2)0.61876 (19)0.2489 (2)0.0433 (6)
H27A0.75980.63750.25610.052*
C280.6223 (3)0.5845 (2)0.1368 (2)0.0480 (6)
H28A0.52540.57480.12640.058*
C290.6923 (3)0.4913 (2)0.1191 (2)0.0503 (6)
H29A0.78900.50020.13380.060*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cl0.1682 (14)0.233 (2)0.0597 (6)0.0281 (14)0.0300 (7)0.0273 (9)
S0.0828 (5)0.0788 (6)0.0518 (4)0.0045 (5)0.0071 (4)0.0097 (4)
O10.0787 (18)0.214 (5)0.088 (2)0.014 (2)0.0344 (16)0.021 (3)
O20.0599 (10)0.0431 (11)0.0617 (12)0.0003 (9)0.0107 (9)0.0019 (9)
O30.0886 (19)0.0532 (16)0.169 (3)0.0015 (13)0.0294 (19)0.0308 (18)
O40.0456 (10)0.0506 (13)0.0944 (17)0.0119 (9)0.0079 (10)0.0179 (12)
O50.0806 (18)0.176 (4)0.118 (3)0.027 (2)0.0049 (19)0.062 (3)
O60.0687 (13)0.0819 (17)0.0714 (14)0.0039 (12)0.0033 (11)0.0354 (13)
O70.0566 (12)0.130 (2)0.0728 (15)0.0049 (14)0.0206 (11)0.0116 (16)
O80.0501 (9)0.0639 (13)0.0486 (10)0.0021 (9)0.0055 (8)0.0037 (9)
O90.0719 (16)0.0597 (17)0.156 (3)0.0185 (12)0.0390 (17)0.0141 (17)
O100.0510 (9)0.0369 (10)0.0674 (12)0.0007 (8)0.0144 (9)0.0051 (9)
O110.105 (2)0.134 (3)0.147 (3)0.003 (2)0.054 (2)0.054 (3)
O120.0660 (12)0.0592 (13)0.0530 (11)0.0057 (10)0.0067 (9)0.0189 (10)
O130.0733 (13)0.0425 (11)0.0561 (11)0.0030 (9)0.0111 (10)0.0050 (9)
O140.0644 (11)0.0353 (10)0.0570 (11)0.0064 (8)0.0181 (9)0.0119 (8)
O150.0660 (11)0.0403 (11)0.0520 (11)0.0027 (8)0.0127 (9)0.0008 (8)
C10.136 (4)0.075 (3)0.074 (2)0.011 (3)0.018 (2)0.009 (2)
C20.076 (2)0.069 (2)0.0678 (19)0.0146 (18)0.0163 (17)0.0062 (17)
C30.095 (3)0.071 (3)0.189 (6)0.040 (2)0.009 (3)0.006 (3)
C40.072 (2)0.048 (2)0.114 (3)0.0167 (16)0.004 (2)0.017 (2)
C50.193 (6)0.166 (7)0.116 (4)0.042 (5)0.048 (4)0.095 (5)
C60.099 (3)0.081 (3)0.071 (2)0.021 (2)0.009 (2)0.028 (2)
C70.092 (3)0.112 (3)0.0562 (18)0.016 (2)0.0066 (18)0.009 (2)
C80.0552 (15)0.0577 (19)0.0518 (15)0.0081 (13)0.0121 (13)0.0049 (14)
C90.084 (2)0.0433 (18)0.120 (3)0.0073 (17)0.022 (2)0.002 (2)
C100.0666 (18)0.0401 (16)0.0718 (19)0.0035 (13)0.0177 (15)0.0002 (14)
C110.156 (4)0.090 (3)0.078 (3)0.035 (3)0.011 (3)0.038 (2)
C120.083 (3)0.072 (2)0.069 (2)0.012 (2)0.0128 (19)0.0173 (19)
C190.0450 (13)0.0400 (14)0.0588 (15)0.0020 (11)0.0062 (12)0.0067 (12)
C200.0401 (12)0.0427 (15)0.0696 (17)0.0043 (11)0.0064 (12)0.0132 (13)
C210.0498 (14)0.0560 (18)0.0580 (16)0.0048 (12)0.0073 (12)0.0189 (13)
C220.0688 (17)0.062 (2)0.0538 (16)0.0018 (15)0.0147 (14)0.0076 (15)
C230.0521 (14)0.0426 (16)0.0513 (14)0.0006 (11)0.0091 (12)0.0063 (12)
C240.0641 (17)0.0416 (16)0.0708 (19)0.0075 (13)0.0219 (15)0.0147 (14)
C250.0526 (13)0.0435 (15)0.0481 (13)0.0065 (12)0.0099 (11)0.0054 (12)
C260.0433 (12)0.0455 (15)0.0460 (13)0.0008 (11)0.0091 (11)0.0066 (12)
C270.0429 (12)0.0383 (14)0.0493 (14)0.0019 (10)0.0079 (11)0.0068 (11)
C280.0459 (12)0.0466 (15)0.0513 (14)0.0012 (11)0.0049 (11)0.0080 (12)
C290.0569 (15)0.0485 (16)0.0457 (14)0.0013 (12)0.0067 (12)0.0025 (12)
Geometric parameters (Å, º) top
Cl—C71.740 (4)C11—H11A0.9600
S—C181.735 (6)C11—H11B0.9600
S—C291.806 (3)C11—H11C0.9600
S—C18'1.820 (6)C13—C181.369 (8)
O1—C21.182 (5)C13—C141.379 (8)
O2—C21.348 (4)C13—H13A0.9300
O2—C191.431 (4)C14—C151.374 (8)
O3—C41.195 (5)C14—H14A0.9300
O4—C41.350 (5)C15—C161.383 (8)
O4—C201.436 (3)C15—H15A0.9300
O5—C61.170 (6)C16—C171.398 (8)
O6—C61.352 (5)C16—H16A0.9300
O6—C211.431 (4)C17—C181.355 (8)
O7—C81.184 (4)C17—H17A0.9300
O8—C81.341 (4)C13'—C14'1.397 (8)
O8—C261.441 (3)C13'—C18'1.432 (12)
O9—C101.184 (4)C13'—H13B0.9300
O10—C101.351 (4)C14'—C15'1.375 (8)
O10—C271.439 (3)C14'—H14B0.9300
O11—C121.172 (5)C15'—C16'1.361 (8)
O12—C121.333 (4)C15'—H15B0.9300
O12—C281.428 (3)C16'—C17'1.381 (8)
O13—C231.416 (4)C16'—H16B0.9300
O13—C221.419 (4)C17'—C18'1.395 (8)
O14—C231.381 (3)C17'—H17B0.9300
O14—C241.429 (4)C19—C201.512 (4)
O15—C291.425 (4)C19—C231.514 (4)
O15—C251.441 (3)C19—H19A0.9800
C1—C21.475 (6)C20—C211.521 (5)
C1—H1A0.9600C20—H20A0.9800
C1—H1B0.9600C21—C221.509 (5)
C1—H1C0.9600C21—H21A0.9800
C3—C41.489 (6)C22—H22A0.9700
C3—H3A0.9600C22—H22B0.9700
C3—H3B0.9600C23—H23A0.9800
C3—H3C0.9600C24—C251.500 (4)
C5—C61.490 (7)C24—H24A0.9700
C5—H5A0.9600C24—H24B0.9700
C5—H5B0.9600C25—C261.523 (4)
C5—H5C0.9600C25—H25A0.9800
C7—C81.485 (5)C26—C271.508 (4)
C7—H7A0.9700C26—H26A0.9800
C7—H7B0.9700C27—C281.508 (4)
C9—C101.495 (5)C27—H27A0.9800
C9—H9A0.9600C28—C291.506 (4)
C9—H9B0.9600C28—H28A0.9800
C9—H9C0.9600C29—H29A0.9800
C11—C121.473 (7)
C18—S—C29105.2 (4)C14'—C13'—H13B118.4
C29—S—C18'97.6 (4)C18'—C13'—H13B118.4
C2—O2—C19118.0 (2)C15'—C14'—C13'117.7 (8)
C4—O4—C20118.1 (3)C15'—C14'—H14B121.2
C6—O6—C21117.2 (3)C13'—C14'—H14B121.2
C8—O8—C26118.4 (2)C16'—C15'—C14'122.0 (8)
C10—O10—C27118.7 (2)C16'—C15'—H15B119.0
C12—O12—C28119.3 (3)C14'—C15'—H15B119.0
C23—O13—C22112.5 (2)C15'—C16'—C17'119.2 (9)
C23—O14—C24112.2 (2)C15'—C16'—H16B120.4
C29—O15—C25112.2 (2)C17'—C16'—H16B120.4
C2—C1—H1A109.5C16'—C17'—C18'123.8 (8)
C2—C1—H1B109.5C16'—C17'—H17B118.1
H1A—C1—H1B109.5C18'—C17'—H17B118.1
C2—C1—H1C109.5C17'—C18'—C13'113.8 (7)
H1A—C1—H1C109.5C17'—C18'—S127.3 (7)
H1B—C1—H1C109.5C13'—C18'—S118.8 (7)
O1—C2—O2122.8 (4)O2—C19—C20108.9 (2)
O1—C2—C1125.9 (4)O2—C19—C23109.4 (2)
O2—C2—C1111.3 (4)C20—C19—C23110.6 (2)
C4—C3—H3A109.5O2—C19—H19A109.3
C4—C3—H3B109.5C20—C19—H19A109.3
H3A—C3—H3B109.5C23—C19—H19A109.3
C4—C3—H3C109.5O4—C20—C19106.8 (2)
H3A—C3—H3C109.5O4—C20—C21110.0 (2)
H3B—C3—H3C109.5C19—C20—C21109.2 (2)
O3—C4—O4123.8 (3)O4—C20—H20A110.3
O3—C4—C3126.4 (4)C19—C20—H20A110.3
O4—C4—C3109.8 (4)C21—C20—H20A110.3
C6—C5—H5A109.5O6—C21—C22106.6 (3)
C6—C5—H5B109.5O6—C21—C20109.6 (3)
H5A—C5—H5B109.5C22—C21—C20109.9 (2)
C6—C5—H5C109.5O6—C21—H21A110.2
H5A—C5—H5C109.5C22—C21—H21A110.2
H5B—C5—H5C109.5C20—C21—H21A110.2
O5—C6—O6123.2 (4)O13—C22—C21108.9 (3)
O5—C6—C5127.2 (5)O13—C22—H22A109.9
O6—C6—C5109.7 (5)C21—C22—H22A109.9
C8—C7—Cl111.4 (3)O13—C22—H22B109.9
C8—C7—H7A109.4C21—C22—H22B109.9
Cl—C7—H7A109.4H22A—C22—H22B108.3
C8—C7—H7B109.4O14—C23—O13107.9 (2)
Cl—C7—H7B109.4O14—C23—C19108.3 (2)
H7A—C7—H7B108.0O13—C23—C19109.6 (2)
O7—C8—O8123.8 (3)O14—C23—H23A110.3
O7—C8—C7126.3 (3)O13—C23—H23A110.3
O8—C8—C7109.9 (3)C19—C23—H23A110.3
C10—C9—H9A109.5O14—C24—C25109.5 (2)
C10—C9—H9B109.5O14—C24—H24A109.8
H9A—C9—H9B109.5C25—C24—H24A109.8
C10—C9—H9C109.5O14—C24—H24B109.8
H9A—C9—H9C109.5C25—C24—H24B109.8
H9B—C9—H9C109.5H24A—C24—H24B108.2
O9—C10—O10123.5 (3)O15—C25—C24107.2 (3)
O9—C10—C9126.8 (3)O15—C25—C26109.2 (2)
O10—C10—C9109.7 (3)C24—C25—C26110.5 (2)
C12—C11—H11A109.5O15—C25—H25A110.0
C12—C11—H11B109.5C24—C25—H25A110.0
H11A—C11—H11B109.5C26—C25—H25A110.0
C12—C11—H11C109.5O8—C26—C27107.0 (2)
H11A—C11—H11C109.5O8—C26—C25107.7 (2)
H11B—C11—H11C109.5C27—C26—C25112.4 (2)
O11—C12—O12121.6 (4)O8—C26—H26A109.9
O11—C12—C11126.6 (4)C27—C26—H26A109.9
O12—C12—C11111.8 (4)C25—C26—H26A109.9
C18—C13—C14115.4 (9)O10—C27—C28109.3 (2)
C18—C13—H13A122.3O10—C27—C26106.5 (2)
C14—C13—H13A122.3C28—C27—C26111.5 (2)
C15—C14—C13122.6 (9)O10—C27—H27A109.8
C15—C14—H14A118.7C28—C27—H27A109.8
C13—C14—H14A118.7C26—C27—H27A109.8
C14—C15—C16118.9 (8)O12—C28—C29111.7 (2)
C14—C15—H15A120.5O12—C28—C27106.5 (2)
C16—C15—H15A120.5C29—C28—C27108.9 (2)
C15—C16—C17120.5 (9)O12—C28—H28A109.9
C15—C16—H16A119.8C29—C28—H28A109.9
C17—C16—H16A119.8C27—C28—H28A109.9
C18—C17—C16116.5 (8)O15—C29—C28107.1 (2)
C18—C17—H17A121.7O15—C29—S109.3 (2)
C16—C17—H17A121.7C28—C29—S111.19 (19)
C17—C18—C13125.8 (7)O15—C29—H29A109.7
C17—C18—S118.0 (6)C28—C29—H29A109.7
C13—C18—S116.0 (6)S—C29—H29A109.7
C14'—C13'—C18'123.3 (8)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1B···O11i0.962.433.310 (5)152
C7—H7B···O1ii0.972.553.324 (5)136
C19—H19A···O10.982.232.676 (4)106
C20—H20A···O30.982.312.707 (4)103
C20—H20A···O7iii0.982.373.247 (5)149
C21—H21A···O50.982.232.665 (4)105
C24—H24A···O130.972.382.768 (4)103
C21—H21A···O50.982.232.665 (4)105
C24—H24A···O130.972.382.768 (4)103
C26—H26A···O70.982.282.703 (4)105
C27—H27A···O90.982.302.708 (4)104
C28—H28A···O110.982.252.661 (4)104
C29—H29A···O5ii0.982.353.290 (5)160
Symmetry codes: (i) x+1, y1/2, z; (ii) x+2, y+1/2, z+1; (iii) x+1, y1/2, z+1.
 

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