Download citation
Download citation
link to html
The title compound, C12H17I2O3P, was prepared in three steps from p-xylene. Heterodimers between nearly identical mol­ecules are connected via three hydrogen bonds from benzylic and ester methyl­ene groups to phospho­nate. The dimers form chains along the a-axis direction, stabilized by C—H...O bridges.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314621006544/bt4116sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2414314621006544/bt4116Isup2.hkl
Contains datablock I

cml

Chemical Markup Language (CML) file https://doi.org/10.1107/S2414314621006544/bt4116Isup3.cml
Supplementary material

CCDC reference: 2091488

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C) = 0.019 Å
  • R factor = 0.075
  • wR factor = 0.186
  • Data-to-parameter ratio = 68.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0195 Ang. PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ...... 4.726 Check PLAT910_ALERT_3_C Missing # of FCF Reflection(s) Below Theta(Min). 5 Note PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.600 58 Report
Alert level G PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large 24.35 Why ? PLAT395_ALERT_2_G Deviating X-O-Y Angle From 120 for O10A 123.0 Degree PLAT395_ALERT_2_G Deviating X-O-Y Angle From 120 for O13A 119.3 Degree PLAT395_ALERT_2_G Deviating X-O-Y Angle From 120 for O10B 120.1 Degree PLAT395_ALERT_2_G Deviating X-O-Y Angle From 120 for O13B 118.9 Degree PLAT431_ALERT_2_G Short Inter HL..A Contact I1A ..O13B . 3.30 Ang. x,-1+y,z = 1_545 Check PLAT431_ALERT_2_G Short Inter HL..A Contact I1B ..O13A . 3.34 Ang. x,1+y,z = 1_565 Check PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 122 Note PLAT931_ALERT_5_G CIFcalcFCF Twin Law ( 2 1 1) Est.d BASF 0.50 Check PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ... 2 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Computing details top

Data collection: X-AREA WinXpose 2.0.22.0 (Stoe & Cie, 2019); cell refinement: X-AREA Recipe 1.36.0 (Stoe & Cie, 2019); data reduction: X-AREA Integrate 1.78.3 (Stoe & Cie, 2019); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2015b); molecular graphics: PLATON (Spek, 2020).

Diethyl [(2,5-diiodo-4-methylphenyl)methyl]phosphonate top
Crystal data top
C12H17I2O3PZ = 4
Mr = 494.02F(000) = 936
Triclinic, P1Dx = 2.095 Mg m3
a = 7.4909 (6) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.9201 (9) ÅCell parameters from 14985 reflections
c = 20.4720 (17) Åθ = 2.9–28.3°
α = 89.070 (7)°µ = 4.12 mm1
β = 80.799 (6)°T = 120 K
γ = 71.451 (6)°Column, colourless
V = 1566.1 (2) Å30.11 × 0.10 × 0.04 mm
Data collection top
Stoe IPDS 2T
diffractometer
22662 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus15127 reflections with I > 2σ(I)
Detector resolution: 6.67 pixels mm-1θmax = 28.0°, θmin = 2.8°
rotation method scansh = 99
Absorption correction: integration
(X-Red32; Stoe & Cie, 2019)
k = 1414
Tmin = 0.651, Tmax = 0.820l = 2626
22662 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.075H-atom parameters constrained
wR(F2) = 0.186 w = 1/[σ2(Fo2) + (0.0494P)2 + 24.353P]
where P = (Fo2 + 2Fc2)/3
S = 1.09(Δ/σ)max < 0.001
22662 reflectionsΔρmax = 1.69 e Å3
332 parametersΔρmin = 1.26 e Å3
0 restraints
Special details top

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.

Refinement. Hydrogen atoms were placed at calculated positions and were refined in the riding-model approximation with Caromatic–H = 0.95 Å, Cmethylene–H = 0.99 Å, Cmethyl–H = 0.98 Å, and with Uiso(H) = 1.2 Ueq(Caromatic, Cmethylene) or with Uiso(H) = 1.5 Ueq(Cmethyl).

Refined as a 2-component twin. Twin law for transforming hkl(1) to hkl(2): 0.97100 0.03900 0.01800 0.98600 -0.98000 0.00900 0.98600 0.02000 -0.99100

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
I1A0.75872 (15)0.26269 (8)0.13371 (5)0.0327 (2)
I2A0.68923 (17)0.33082 (9)0.00063 (5)0.0394 (3)
C1A0.6926 (18)0.0275 (12)0.1389 (6)0.023 (3)
C2A0.7307 (18)0.0795 (11)0.0976 (6)0.021 (2)
C3A0.749 (2)0.0701 (13)0.0282 (7)0.028 (3)
H3A0.7683610.1449940.0014900.033*
C4A0.739 (2)0.0447 (13)0.0017 (6)0.027 (3)
C5A0.701 (2)0.1543 (12)0.0394 (7)0.028 (3)
C6A0.6802 (19)0.1462 (11)0.1077 (6)0.023 (3)
H6A0.6569700.2219000.1342500.028*
C7A0.6757 (18)0.0270 (12)0.2123 (6)0.022 (2)
H7A0.7488980.0803420.2261690.026*
H7B0.7349800.0626050.2254330.026*
P8A0.4346 (5)0.0866 (3)0.25589 (16)0.0222 (6)
O9A0.3240 (14)0.2183 (8)0.2406 (5)0.030 (2)
O10A0.3510 (13)0.0234 (8)0.2415 (4)0.0245 (19)
C11A0.147 (2)0.0070 (14)0.2546 (8)0.035 (3)
H11A0.1158760.0586640.2214680.042*
H11B0.0729980.0849490.2507010.042*
C12A0.093 (2)0.0489 (17)0.3216 (8)0.043 (4)
H12A0.0407690.0457060.3280670.064*
H12B0.1101570.0086760.3546380.064*
H12C0.1742740.1375810.3267630.064*
O13A0.4539 (15)0.0703 (9)0.3315 (4)0.028 (2)
C14A0.495 (2)0.1709 (14)0.3673 (7)0.031 (3)
H14A0.3749290.2422580.3823490.038*
H14B0.5828330.2064350.3378670.038*
C15A0.583 (3)0.1122 (17)0.4254 (9)0.053 (5)
H15A0.4861860.0933300.4585430.080*
H15B0.6338660.1728670.4448340.080*
H15C0.6865940.0319690.4110940.080*
C16A0.764 (2)0.0499 (15)0.0766 (7)0.034 (3)
H16A0.7717800.0338170.0954560.051*
H16B0.8817930.0695480.0931950.051*
H16C0.6549340.1174140.0893950.051*
I1B0.63866 (15)0.75758 (9)0.36179 (5)0.0338 (2)
I2B1.01458 (17)0.17183 (9)0.50120 (5)0.0397 (3)
C1B0.868 (2)0.4691 (13)0.3608 (7)0.026 (3)
C2B0.752 (2)0.5771 (13)0.4004 (7)0.027 (3)
C3B0.713 (2)0.5666 (13)0.4682 (6)0.027 (3)
H3B0.6352360.6415170.4940470.032*
C4B0.782 (2)0.4539 (13)0.5001 (7)0.026 (3)
C5B0.896 (2)0.3482 (12)0.4599 (6)0.024 (3)
C6B0.9378 (18)0.3541 (13)0.3916 (7)0.025 (3)
H6B1.0149230.2787050.3659420.030*
C7B0.9231 (19)0.4726 (12)0.2861 (6)0.026 (3)
H7C1.0602150.4231530.2736320.031*
H7D0.9058850.5633630.2741290.031*
P8B0.7894 (5)0.4086 (3)0.23870 (16)0.0238 (7)
O9B0.7928 (15)0.2762 (8)0.2537 (5)0.030 (2)
O10B0.5903 (14)0.5151 (9)0.2494 (5)0.031 (2)
C11B0.442 (2)0.5089 (14)0.2103 (9)0.040 (4)
H11C0.4959510.4961760.1625900.048*
H11D0.3957260.4355470.2242320.048*
C12B0.282 (2)0.6327 (16)0.2225 (10)0.049 (4)
H12D0.3322620.7051470.2137150.073*
H12E0.2193320.6390490.2686950.073*
H12F0.1899320.6356020.1931000.073*
O13B0.8694 (15)0.4266 (9)0.1634 (4)0.030 (2)
C14B1.036 (2)0.3272 (14)0.1298 (7)0.035 (3)
H14C0.9972410.2640280.1061330.042*
H14D1.1160790.2806080.1622410.042*
C15B1.146 (3)0.3913 (18)0.0819 (10)0.051 (5)
H15D1.2566810.3257260.0570190.076*
H15E1.1892780.4504080.1060480.076*
H15F1.0639750.4401260.0512300.076*
C16B0.736 (2)0.4469 (16)0.5744 (7)0.036 (3)
H16D0.6841670.3755990.5850120.053*
H16E0.6406610.5284070.5926050.053*
H16F0.8519400.4321940.5936240.053*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
I1A0.0344 (5)0.0278 (4)0.0367 (5)0.0107 (4)0.0074 (4)0.0072 (4)
I2A0.0430 (6)0.0349 (5)0.0403 (5)0.0136 (4)0.0055 (4)0.0130 (4)
C1A0.016 (6)0.029 (6)0.025 (6)0.008 (5)0.005 (5)0.013 (5)
C2A0.016 (6)0.021 (5)0.028 (6)0.005 (5)0.005 (5)0.010 (5)
C3A0.027 (7)0.025 (6)0.031 (6)0.007 (5)0.007 (5)0.006 (5)
C4A0.025 (7)0.036 (7)0.027 (6)0.016 (6)0.006 (5)0.001 (6)
C5A0.032 (8)0.025 (6)0.028 (6)0.011 (5)0.007 (5)0.015 (5)
C6A0.025 (6)0.018 (5)0.024 (6)0.004 (5)0.002 (5)0.006 (5)
C7A0.024 (6)0.024 (6)0.020 (5)0.008 (5)0.012 (5)0.003 (5)
P8A0.0215 (16)0.0229 (14)0.0223 (14)0.0073 (12)0.0043 (12)0.0062 (12)
O9A0.026 (5)0.024 (4)0.038 (5)0.007 (4)0.005 (4)0.008 (4)
O10A0.019 (4)0.026 (4)0.030 (4)0.010 (3)0.003 (4)0.004 (4)
C11A0.025 (7)0.032 (7)0.053 (9)0.015 (6)0.011 (6)0.015 (6)
C12A0.041 (9)0.057 (9)0.040 (8)0.031 (8)0.007 (7)0.013 (7)
O13A0.040 (6)0.026 (4)0.017 (4)0.010 (4)0.004 (4)0.004 (4)
C14A0.034 (8)0.040 (7)0.025 (6)0.018 (6)0.002 (5)0.002 (6)
C15A0.056 (11)0.044 (9)0.056 (10)0.001 (8)0.031 (9)0.007 (8)
C16A0.026 (7)0.047 (8)0.025 (6)0.007 (6)0.005 (5)0.005 (6)
I1B0.0360 (5)0.0285 (4)0.0367 (5)0.0093 (4)0.0080 (4)0.0068 (4)
I2B0.0475 (6)0.0346 (5)0.0398 (5)0.0125 (4)0.0172 (4)0.0130 (4)
C1B0.024 (7)0.027 (6)0.028 (6)0.011 (5)0.005 (5)0.002 (6)
C2B0.025 (7)0.025 (6)0.033 (7)0.008 (5)0.005 (5)0.006 (6)
C3B0.026 (7)0.029 (6)0.027 (6)0.008 (5)0.009 (5)0.003 (5)
C4B0.025 (7)0.031 (6)0.031 (6)0.019 (6)0.008 (5)0.004 (6)
C5B0.024 (7)0.027 (6)0.028 (6)0.017 (5)0.009 (5)0.009 (5)
C6B0.017 (6)0.028 (6)0.033 (6)0.008 (5)0.007 (5)0.001 (5)
C7B0.022 (6)0.026 (6)0.030 (6)0.008 (5)0.005 (5)0.006 (5)
P8B0.0235 (17)0.0233 (14)0.0260 (15)0.0078 (12)0.0074 (13)0.0034 (13)
O9B0.034 (5)0.027 (5)0.033 (5)0.014 (4)0.011 (4)0.008 (4)
O10B0.024 (5)0.033 (5)0.037 (5)0.009 (4)0.009 (4)0.005 (4)
C11B0.024 (7)0.032 (7)0.070 (10)0.009 (6)0.021 (7)0.003 (7)
C12B0.027 (8)0.049 (9)0.073 (11)0.014 (7)0.017 (8)0.010 (9)
O13B0.033 (6)0.030 (5)0.025 (4)0.007 (4)0.001 (4)0.004 (4)
C14B0.040 (9)0.034 (7)0.026 (6)0.006 (6)0.003 (6)0.003 (6)
C15B0.042 (10)0.051 (9)0.059 (10)0.023 (8)0.010 (8)0.005 (9)
C16B0.043 (9)0.048 (8)0.024 (6)0.025 (7)0.008 (6)0.001 (6)
Geometric parameters (Å, º) top
I1A—C2A2.080 (12)I1B—C2B2.082 (15)
I2A—C5A2.064 (13)I2B—C5B2.077 (14)
C1A—C2A1.380 (17)C1B—C6B1.38 (2)
C1A—C6A1.418 (18)C1B—C2B1.398 (17)
C1A—C7A1.487 (16)C1B—C7B1.521 (18)
C2A—C3A1.410 (18)C2B—C3B1.382 (19)
C3A—C4A1.37 (2)C3B—C4B1.37 (2)
C3A—H3A0.9500C3B—H3B0.9500
C4A—C5A1.400 (18)C4B—C5B1.385 (18)
C4A—C16A1.517 (18)C4B—C16B1.510 (19)
C5A—C6A1.386 (18)C5B—C6B1.388 (19)
C6A—H6A0.9500C6B—H6B0.9500
C7A—P8A1.799 (13)C7B—P8B1.792 (14)
C7A—H7A0.9900C7B—H7C0.9900
C7A—H7B0.9900C7B—H7D0.9900
P8A—O9A1.471 (9)P8B—O9B1.466 (9)
P8A—O10A1.572 (9)P8B—O10B1.558 (10)
P8A—O13A1.579 (9)P8B—O13B1.595 (10)
O10A—C11A1.462 (17)O10B—C11B1.487 (18)
C11A—C12A1.47 (2)C11B—C12B1.49 (2)
C11A—H11A0.9900C11B—H11C0.9900
C11A—H11B0.9900C11B—H11D0.9900
C12A—H12A0.9800C12B—H12D0.9800
C12A—H12B0.9800C12B—H12E0.9800
C12A—H12C0.9800C12B—H12F0.9800
O13A—C14A1.465 (16)O13B—C14B1.450 (17)
C14A—C15A1.49 (2)C14B—C15B1.49 (2)
C14A—H14A0.9900C14B—H14C0.9900
C14A—H14B0.9900C14B—H14D0.9900
C15A—H15A0.9800C15B—H15D0.9800
C15A—H15B0.9800C15B—H15E0.9800
C15A—H15C0.9800C15B—H15F0.9800
C16A—H16A0.9800C16B—H16D0.9800
C16A—H16B0.9800C16B—H16E0.9800
C16A—H16C0.9800C16B—H16F0.9800
C2A—C1A—C6A116.4 (11)C6B—C1B—C2B117.9 (12)
C2A—C1A—C7A125.6 (12)C6B—C1B—C7B118.8 (11)
C6A—C1A—C7A117.8 (11)C2B—C1B—C7B123.4 (13)
C1A—C2A—C3A121.6 (12)C3B—C2B—C1B119.8 (14)
C1A—C2A—I1A122.2 (9)C3B—C2B—I1B117.6 (9)
C3A—C2A—I1A116.1 (9)C1B—C2B—I1B122.6 (10)
C4A—C3A—C2A121.6 (11)C4B—C3B—C2B123.5 (12)
C4A—C3A—H3A119.2C4B—C3B—H3B118.2
C2A—C3A—H3A119.2C2B—C3B—H3B118.2
C3A—C4A—C5A117.6 (12)C3B—C4B—C5B115.7 (12)
C3A—C4A—C16A119.8 (12)C3B—C4B—C16B121.7 (12)
C5A—C4A—C16A122.6 (13)C5B—C4B—C16B122.6 (13)
C6A—C5A—C4A121.2 (12)C4B—C5B—C6B122.8 (13)
C6A—C5A—I2A118.2 (9)C4B—C5B—I2B120.1 (9)
C4A—C5A—I2A120.6 (10)C6B—C5B—I2B117.1 (9)
C5A—C6A—C1A121.6 (11)C1B—C6B—C5B120.4 (12)
C5A—C6A—H6A119.2C1B—C6B—H6B119.8
C1A—C6A—H6A119.2C5B—C6B—H6B119.8
C1A—C7A—P8A114.5 (9)C1B—C7B—P8B114.7 (10)
C1A—C7A—H7A108.6C1B—C7B—H7C108.6
P8A—C7A—H7A108.6P8B—C7B—H7C108.6
C1A—C7A—H7B108.6C1B—C7B—H7D108.6
P8A—C7A—H7B108.6P8B—C7B—H7D108.6
H7A—C7A—H7B107.6H7C—C7B—H7D107.6
O9A—P8A—O10A116.1 (6)O9B—P8B—O10B116.8 (6)
O9A—P8A—O13A113.4 (5)O9B—P8B—O13B114.2 (5)
O10A—P8A—O13A102.7 (5)O10B—P8B—O13B101.9 (6)
O9A—P8A—C7A115.6 (6)O9B—P8B—C7B114.9 (6)
O10A—P8A—C7A102.7 (5)O10B—P8B—C7B102.5 (6)
O13A—P8A—C7A104.8 (6)O13B—P8B—C7B104.8 (6)
C11A—O10A—P8A123.0 (8)C11B—O10B—P8B120.1 (8)
O10A—C11A—C12A110.5 (13)C12B—C11B—O10B107.8 (12)
O10A—C11A—H11A109.6C12B—C11B—H11C110.1
C12A—C11A—H11A109.6O10B—C11B—H11C110.1
O10A—C11A—H11B109.6C12B—C11B—H11D110.1
C12A—C11A—H11B109.6O10B—C11B—H11D110.1
H11A—C11A—H11B108.1H11C—C11B—H11D108.5
C11A—C12A—H12A109.5C11B—C12B—H12D109.5
C11A—C12A—H12B109.5C11B—C12B—H12E109.5
H12A—C12A—H12B109.5H12D—C12B—H12E109.5
C11A—C12A—H12C109.5C11B—C12B—H12F109.5
H12A—C12A—H12C109.5H12D—C12B—H12F109.5
H12B—C12A—H12C109.5H12E—C12B—H12F109.5
C14A—O13A—P8A119.4 (9)C14B—O13B—P8B118.9 (9)
O13A—C14A—C15A108.4 (13)O13B—C14B—C15B107.8 (12)
O13A—C14A—H14A110.0O13B—C14B—H14C110.2
C15A—C14A—H14A110.0C15B—C14B—H14C110.2
O13A—C14A—H14B110.0O13B—C14B—H14D110.2
C15A—C14A—H14B110.0C15B—C14B—H14D110.2
H14A—C14A—H14B108.4H14C—C14B—H14D108.5
C14A—C15A—H15A109.5C14B—C15B—H15D109.5
C14A—C15A—H15B109.5C14B—C15B—H15E109.5
H15A—C15A—H15B109.5H15D—C15B—H15E109.5
C14A—C15A—H15C109.5C14B—C15B—H15F109.5
H15A—C15A—H15C109.5H15D—C15B—H15F109.5
H15B—C15A—H15C109.5H15E—C15B—H15F109.5
C4A—C16A—H16A109.5C4B—C16B—H16D109.5
C4A—C16A—H16B109.5C4B—C16B—H16E109.5
H16A—C16A—H16B109.5H16D—C16B—H16E109.5
C4A—C16A—H16C109.5C4B—C16B—H16F109.5
H16A—C16A—H16C109.5H16D—C16B—H16F109.5
H16B—C16A—H16C109.5H16E—C16B—H16F109.5
C6A—C1A—C2A—C3A2.4 (19)C6B—C1B—C2B—C3B1 (2)
C7A—C1A—C2A—C3A178.4 (13)C7B—C1B—C2B—C3B178.3 (13)
C6A—C1A—C2A—I1A179.0 (10)C6B—C1B—C2B—I1B179.4 (10)
C7A—C1A—C2A—I1A3.0 (18)C7B—C1B—C2B—I1B0.2 (19)
C1A—C2A—C3A—C4A3 (2)C1B—C2B—C3B—C4B1 (2)
I1A—C2A—C3A—C4A177.9 (11)I1B—C2B—C3B—C4B179.1 (11)
C2A—C3A—C4A—C5A3 (2)C2B—C3B—C4B—C5B0 (2)
C2A—C3A—C4A—C16A178.6 (13)C2B—C3B—C4B—C16B179.9 (14)
C3A—C4A—C5A—C6A2 (2)C3B—C4B—C5B—C6B1 (2)
C16A—C4A—C5A—C6A179.6 (14)C16B—C4B—C5B—C6B179.8 (13)
C3A—C4A—C5A—I2A178.7 (11)C3B—C4B—C5B—I2B178.6 (10)
C16A—C4A—C5A—I2A3.0 (19)C16B—C4B—C5B—I2B0.9 (18)
C4A—C5A—C6A—C1A1 (2)C2B—C1B—C6B—C5B1 (2)
I2A—C5A—C6A—C1A178.0 (10)C7B—C1B—C6B—C5B178.0 (12)
C2A—C1A—C6A—C5A1 (2)C4B—C5B—C6B—C1B1 (2)
C7A—C1A—C6A—C5A177.7 (13)I2B—C5B—C6B—C1B178.2 (10)
C2A—C1A—C7A—P8A104.0 (13)C6B—C1B—C7B—P8B79.6 (14)
C6A—C1A—C7A—P8A80.1 (14)C2B—C1B—C7B—P8B101.3 (14)
C1A—C7A—P8A—O9A56.9 (11)C1B—C7B—P8B—O9B55.2 (11)
C1A—C7A—P8A—O10A70.5 (10)C1B—C7B—P8B—O10B72.5 (11)
C1A—C7A—P8A—O13A177.4 (9)C1B—C7B—P8B—O13B178.6 (9)
O9A—P8A—O10A—C11A39.4 (12)O9B—P8B—O10B—C11B62.1 (12)
O13A—P8A—O10A—C11A84.9 (11)O13B—P8B—O10B—C11B63.0 (12)
C7A—P8A—O10A—C11A166.5 (10)C7B—P8B—O10B—C11B171.3 (11)
P8A—O10A—C11A—C12A91.8 (13)P8B—O10B—C11B—C12B170.5 (12)
O9A—P8A—O13A—C14A42.8 (12)O9B—P8B—O13B—C14B40.2 (13)
O10A—P8A—O13A—C14A168.8 (10)O10B—P8B—O13B—C14B167.0 (11)
C7A—P8A—O13A—C14A84.3 (11)C7B—P8B—O13B—C14B86.4 (11)
P8A—O13A—C14A—C15A157.0 (12)P8B—O13B—C14B—C15B147.0 (12)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C7A—H7A···O9B0.992.363.275 (15)154
C11A—H11B···O9Bi0.992.443.377 (17)158
C14A—H14B···O9B0.992.423.407 (18)172
C7B—H7C···O9Aii0.992.483.388 (15)152
C11B—H11D···O9A0.992.603.575 (18)169
C14B—H14D···O9Aii0.992.363.324 (19)166
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z.
 

Follow IUCrData
Sign up for e-alerts
Follow IUCrData on Twitter
Follow us on facebook
Sign up for RSS feeds