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In the title compound, C39H42BrNO5S2Si, the Si and S atoms have tetrahedrally geometry. In the crystal structure, the mol­ecules form centrosymmetric dimers through rather long N—H...O hydrogen-bonding interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804028314/bt6563sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804028314/bt6563Isup2.hkl
Contains datablock I

CCDC reference: 259566

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.051
  • wR factor = 0.130
  • Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.93
Alert level C ABSTM02_ALERT_3_C The ratio of Tmax/Tmin expected RT(exp) is > 1.10 Absorption corrections should be applied. Tmin and Tmax expected: 0.746 0.839 RT(exp) = 1.125 PLAT057_ALERT_3_C Correction for Absorption Required RT(exp) ... 1.12 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.56 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.16 Ratio PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C36 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C5 -C10 1.37 Ang.
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 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 3 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 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97 and PARST (Nardelli, 1995).

N-[(1S,2S,3R)-2-Bromo-3-(tert-butyldiphenylsilyloxy)-1-phenyl-4- (phenylsulfonyl)butyl]-4-methylbenzenesulfonamide top
Crystal data top
C39H42BrNO5S2SiF(000) = 1616
Mr = 776.86Dx = 1.345 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 13.9704 (8) ÅCell parameters from 4427 reflections
b = 19.5590 (12) Åθ = 2.4–22.8°
c = 14.1646 (9) ŵ = 1.25 mm1
β = 96.900 (1)°T = 293 K
V = 3842.4 (4) Å3Needle, colourless
Z = 40.24 × 0.20 × 0.14 mm
Data collection top
Bruker Smart APEX CCD area-detector
diffractometer
5593 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.040
Graphite monochromatorθmax = 28.0°, θmin = 1.8°
ω scansh = 1718
23909 measured reflectionsk = 2523
8859 independent reflectionsl = 1818
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.051Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.130H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.072P)2 + 0.603P]
where P = (Fo2 + 2Fc2)/3
8859 reflections(Δ/σ)max = 0.003
446 parametersΔρmax = 0.62 e Å3
0 restraintsΔρmin = 0.56 e Å3
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*/Ueq
Br10.58188 (2)0.208667 (16)0.66847 (3)0.06261 (14)
C10.58772 (18)0.34824 (13)0.6178 (2)0.0370 (6)
H10.61030.35040.68600.044*
C20.51861 (18)0.28690 (13)0.6006 (2)0.0373 (6)
H20.51320.27630.53260.045*
C30.41601 (18)0.29696 (13)0.62589 (18)0.0354 (6)
H30.38470.33260.58450.043*
C40.41414 (18)0.31874 (14)0.72899 (18)0.0380 (6)
H4A0.46440.35230.74560.046*
H4B0.42800.27940.77000.046*
C50.3265 (2)0.38390 (16)0.8678 (2)0.0443 (7)
C60.3651 (2)0.44778 (17)0.8859 (3)0.0581 (8)
H60.37710.47640.83620.070*
C70.3859 (2)0.4687 (2)0.9790 (3)0.0700 (10)
H70.41180.51200.99240.084*
C80.3690 (3)0.4268 (2)1.0510 (3)0.0796 (12)
H80.38450.44121.11350.095*
C90.3290 (3)0.3633 (2)1.0329 (3)0.0776 (11)
H90.31640.33511.08270.093*
C100.3080 (3)0.34193 (17)0.9405 (2)0.0592 (9)
H100.28110.29890.92740.071*
C110.67958 (19)0.50421 (14)0.63723 (19)0.0398 (6)
C120.7490 (2)0.50595 (16)0.7156 (2)0.0520 (8)
H120.73320.49450.77560.062*
C130.8410 (2)0.52472 (19)0.7036 (2)0.0643 (9)
H130.88750.52630.75640.077*
C140.8669 (2)0.54136 (18)0.6153 (2)0.0585 (9)
C150.7969 (2)0.53846 (16)0.5380 (2)0.0557 (8)
H150.81300.54910.47790.067*
C160.7035 (2)0.52010 (15)0.5481 (2)0.0488 (7)
H160.65700.51840.49540.059*
C170.9684 (2)0.5628 (2)0.6035 (3)0.0906 (13)
H17A1.01030.52380.61190.136*
H17B0.98970.59680.65010.136*
H17C0.97000.58130.54090.136*
C180.67524 (19)0.34150 (14)0.5646 (2)0.0446 (7)
C190.6638 (2)0.34411 (15)0.4664 (2)0.0566 (8)
H190.60230.34730.43330.068*
C200.7440 (3)0.34199 (18)0.4167 (3)0.0759 (11)
H200.73640.34360.35060.091*
C210.8340 (3)0.3376 (2)0.4662 (4)0.0909 (15)
H210.88770.33680.43330.109*
C220.8465 (3)0.3343 (2)0.5627 (4)0.0841 (13)
H220.90830.33080.59520.101*
C230.7665 (2)0.33618 (16)0.6127 (3)0.0629 (9)
H230.77490.33390.67870.075*
C240.3718 (2)0.22678 (15)0.41022 (19)0.0408 (7)
C250.4497 (2)0.19458 (19)0.3782 (2)0.0611 (9)
H250.47100.15320.40530.073*
C260.4964 (3)0.2222 (2)0.3073 (3)0.0801 (12)
H260.54940.19970.28780.096*
C270.4656 (3)0.2824 (2)0.2651 (3)0.0828 (13)
H270.49640.30060.21610.099*
C280.3897 (3)0.3152 (2)0.2954 (3)0.0777 (11)
H280.36860.35640.26750.093*
C290.3439 (3)0.28806 (17)0.3669 (2)0.0606 (9)
H290.29220.31170.38700.073*
C300.35169 (19)0.10265 (15)0.5414 (2)0.0444 (7)
C310.3542 (2)0.05377 (17)0.4708 (3)0.0609 (9)
H310.34450.06740.40750.073*
C320.3707 (3)0.0145 (2)0.4914 (4)0.0827 (13)
H320.37190.04600.44240.099*
C330.3850 (3)0.0355 (2)0.5830 (5)0.0902 (15)
H330.39550.08160.59680.108*
C340.3843 (3)0.0104 (2)0.6547 (3)0.0851 (13)
H340.39430.00420.71760.102*
C350.3684 (2)0.07973 (18)0.6344 (3)0.0642 (9)
H350.36900.11090.68400.077*
C360.1812 (2)0.19846 (15)0.5030 (2)0.0453 (7)
C370.1394 (2)0.15857 (19)0.4145 (2)0.0651 (10)
H37A0.07030.15950.40940.098*
H37B0.16150.11210.41970.098*
H37C0.16040.17920.35900.098*
C380.1465 (2)0.1650 (2)0.5910 (2)0.0657 (10)
H38A0.17110.19020.64690.099*
H38B0.16940.11870.59650.099*
H38C0.07730.16520.58460.099*
C390.1426 (2)0.27209 (19)0.4962 (3)0.0783 (11)
H39A0.15540.29190.43700.117*
H39B0.17400.29860.54800.117*
H39C0.07440.27170.49930.117*
N10.53386 (14)0.41190 (10)0.59082 (15)0.0362 (5)
H1A0.48890.41200.54360.043*
O10.2834 (2)0.41091 (16)0.68720 (17)0.0974 (10)
O20.23100 (18)0.30129 (17)0.74917 (19)0.1004 (11)
O30.36095 (13)0.23622 (10)0.61151 (12)0.0433 (5)
O40.55618 (14)0.46619 (10)0.74889 (13)0.0482 (5)
O50.49736 (13)0.53253 (9)0.60528 (13)0.0463 (5)
S10.30168 (6)0.35403 (5)0.74997 (6)0.0571 (2)
S20.56020 (5)0.48139 (3)0.65088 (5)0.03767 (17)
Si10.31707 (5)0.19352 (4)0.51599 (5)0.03609 (18)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Br10.0547 (2)0.03949 (19)0.0935 (3)0.00353 (15)0.00842 (18)0.01134 (17)
C10.0363 (15)0.0338 (14)0.0398 (15)0.0003 (11)0.0001 (12)0.0045 (12)
C20.0379 (15)0.0342 (15)0.0396 (15)0.0027 (11)0.0038 (12)0.0011 (12)
C30.0321 (14)0.0381 (15)0.0354 (14)0.0077 (11)0.0009 (11)0.0026 (12)
C40.0358 (14)0.0413 (15)0.0361 (15)0.0049 (12)0.0008 (11)0.0047 (12)
C50.0419 (16)0.0513 (18)0.0399 (16)0.0046 (13)0.0048 (13)0.0116 (14)
C60.0470 (18)0.057 (2)0.072 (2)0.0012 (15)0.0122 (16)0.0075 (18)
C70.053 (2)0.064 (2)0.091 (3)0.0002 (17)0.0011 (19)0.037 (2)
C80.076 (3)0.102 (4)0.056 (2)0.021 (2)0.007 (2)0.034 (2)
C90.108 (3)0.082 (3)0.044 (2)0.018 (2)0.011 (2)0.0018 (19)
C100.078 (2)0.0472 (19)0.051 (2)0.0033 (17)0.0044 (17)0.0033 (16)
C110.0409 (15)0.0345 (15)0.0429 (16)0.0057 (12)0.0004 (12)0.0012 (12)
C120.0480 (18)0.064 (2)0.0421 (17)0.0053 (15)0.0032 (14)0.0047 (15)
C130.0434 (18)0.084 (3)0.061 (2)0.0112 (17)0.0144 (15)0.0021 (19)
C140.0426 (18)0.065 (2)0.066 (2)0.0137 (15)0.0002 (16)0.0040 (17)
C150.0503 (19)0.062 (2)0.055 (2)0.0106 (16)0.0047 (15)0.0098 (16)
C160.0437 (17)0.0529 (19)0.0471 (18)0.0089 (14)0.0054 (13)0.0065 (14)
C170.046 (2)0.121 (4)0.105 (3)0.019 (2)0.008 (2)0.010 (3)
C180.0355 (15)0.0350 (15)0.064 (2)0.0021 (12)0.0081 (14)0.0026 (14)
C190.058 (2)0.0481 (19)0.067 (2)0.0030 (15)0.0210 (17)0.0009 (16)
C200.086 (3)0.059 (2)0.091 (3)0.001 (2)0.046 (2)0.000 (2)
C210.065 (3)0.065 (3)0.154 (5)0.012 (2)0.059 (3)0.006 (3)
C220.0350 (19)0.074 (3)0.144 (4)0.0012 (17)0.016 (2)0.001 (3)
C230.0381 (18)0.057 (2)0.093 (3)0.0024 (15)0.0021 (17)0.0044 (19)
C240.0415 (16)0.0481 (17)0.0327 (15)0.0046 (13)0.0038 (12)0.0033 (13)
C250.053 (2)0.075 (2)0.058 (2)0.0022 (17)0.0190 (16)0.0092 (18)
C260.068 (3)0.105 (3)0.073 (3)0.003 (2)0.035 (2)0.003 (2)
C270.099 (3)0.104 (4)0.051 (2)0.029 (3)0.032 (2)0.002 (2)
C280.114 (3)0.069 (3)0.053 (2)0.006 (2)0.022 (2)0.013 (2)
C290.078 (2)0.058 (2)0.049 (2)0.0038 (18)0.0204 (17)0.0036 (16)
C300.0354 (15)0.0444 (17)0.0515 (18)0.0069 (12)0.0017 (13)0.0001 (14)
C310.053 (2)0.049 (2)0.081 (2)0.0025 (15)0.0110 (17)0.0102 (18)
C320.059 (2)0.047 (2)0.145 (4)0.0002 (18)0.026 (3)0.017 (3)
C330.046 (2)0.047 (2)0.175 (5)0.0034 (17)0.005 (3)0.018 (3)
C340.068 (3)0.073 (3)0.108 (3)0.013 (2)0.019 (2)0.041 (3)
C350.063 (2)0.059 (2)0.067 (2)0.0131 (17)0.0099 (17)0.0103 (18)
C360.0362 (15)0.0521 (19)0.0471 (17)0.0055 (13)0.0021 (13)0.0079 (14)
C370.052 (2)0.088 (3)0.051 (2)0.0126 (18)0.0092 (15)0.0104 (18)
C380.0482 (19)0.097 (3)0.054 (2)0.0171 (18)0.0150 (15)0.0092 (19)
C390.048 (2)0.071 (3)0.115 (3)0.0147 (18)0.003 (2)0.004 (2)
N10.0301 (11)0.0348 (12)0.0412 (13)0.0030 (9)0.0062 (9)0.0001 (10)
O10.114 (2)0.129 (3)0.0483 (14)0.0704 (19)0.0059 (14)0.0117 (15)
O20.0532 (15)0.167 (3)0.0852 (19)0.0467 (17)0.0265 (13)0.0709 (19)
O30.0480 (11)0.0464 (11)0.0359 (10)0.0193 (9)0.0071 (8)0.0059 (9)
O40.0558 (13)0.0492 (12)0.0397 (11)0.0051 (10)0.0064 (9)0.0005 (9)
O50.0445 (11)0.0407 (11)0.0520 (12)0.0049 (9)0.0013 (9)0.0012 (9)
S10.0413 (4)0.0877 (7)0.0416 (4)0.0044 (4)0.0021 (3)0.0158 (4)
S20.0378 (4)0.0357 (4)0.0386 (4)0.0031 (3)0.0011 (3)0.0001 (3)
Si10.0349 (4)0.0393 (4)0.0338 (4)0.0052 (3)0.0032 (3)0.0031 (3)
Geometric parameters (Å, º) top
Br1—C21.960 (3)C22—C231.394 (5)
C1—N11.481 (3)C22—H220.9300
C1—C181.517 (4)C23—H230.9300
C1—C21.541 (3)C24—C251.380 (4)
C1—H10.9800C24—C291.381 (4)
C2—C31.531 (4)C24—Si11.878 (3)
C2—H20.9800C25—C261.373 (5)
C3—O31.417 (3)C25—H250.9300
C3—C41.525 (4)C26—C271.368 (6)
C3—H30.9800C26—H260.9300
C4—S11.773 (3)C27—C281.352 (6)
C4—H4A0.9700C27—H270.9300
C4—H4B0.9700C28—C291.369 (5)
C5—C101.366 (4)C28—H280.9300
C5—C61.373 (4)C29—H290.9300
C5—S11.764 (3)C30—C351.384 (4)
C6—C71.378 (5)C30—C311.387 (4)
C6—H60.9300C30—Si11.866 (3)
C7—C81.350 (5)C31—C321.380 (5)
C7—H70.9300C31—H310.9300
C8—C91.373 (5)C32—C331.352 (6)
C8—H80.9300C32—H320.9300
C9—C101.371 (5)C33—C341.358 (6)
C9—H90.9300C33—H330.9300
C10—H100.9300C34—C351.398 (5)
C11—C161.380 (4)C34—H340.9300
C11—C121.384 (4)C35—H350.9300
C11—S21.759 (3)C36—C371.531 (4)
C12—C131.367 (4)C36—C391.537 (4)
C12—H120.9300C36—C381.537 (4)
C13—C141.382 (4)C36—Si11.887 (3)
C13—H130.9300C37—H37A0.9600
C14—C151.380 (4)C37—H37B0.9600
C14—C171.507 (4)C37—H37C0.9600
C15—C161.377 (4)C38—H38A0.9600
C15—H150.9300C38—H38B0.9600
C16—H160.9300C38—H38C0.9600
C17—H17A0.9600C39—H39A0.9600
C17—H17B0.9600C39—H39B0.9600
C17—H17C0.9600C39—H39C0.9600
C18—C231.376 (4)N1—S21.622 (2)
C18—C191.382 (4)N1—H1A0.8600
C19—C201.394 (4)O1—S11.428 (3)
C19—H190.9300O2—S11.427 (3)
C20—C211.367 (6)O3—Si11.6446 (19)
C20—H200.9300O4—S21.4275 (19)
C21—C221.357 (6)O5—S21.4325 (19)
C21—H210.9300
N1—C1—C18111.1 (2)C22—C23—H23119.9
N1—C1—C2108.9 (2)C25—C24—C29116.2 (3)
C18—C1—C2112.4 (2)C25—C24—Si1121.1 (2)
N1—C1—H1108.1C29—C24—Si1122.3 (2)
C18—C1—H1108.1C26—C25—C24121.6 (3)
C2—C1—H1108.1C26—C25—H25119.2
C3—C2—C1116.7 (2)C24—C25—H25119.2
C3—C2—Br1111.43 (17)C27—C26—C25120.4 (4)
C1—C2—Br1107.06 (17)C27—C26—H26119.8
C3—C2—H2107.1C25—C26—H26119.8
C1—C2—H2107.1C28—C27—C26119.2 (3)
Br1—C2—H2107.1C28—C27—H27120.4
O3—C3—C4107.5 (2)C26—C27—H27120.4
O3—C3—C2111.5 (2)C27—C28—C29120.3 (4)
C4—C3—C2112.6 (2)C27—C28—H28119.8
O3—C3—H3108.4C29—C28—H28119.8
C4—C3—H3108.4C28—C29—C24122.2 (3)
C2—C3—H3108.4C28—C29—H29118.9
C3—C4—S1112.75 (18)C24—C29—H29118.9
C3—C4—H4A109.0C35—C30—C31116.5 (3)
S1—C4—H4A109.0C35—C30—Si1120.1 (2)
C3—C4—H4B109.0C31—C30—Si1123.1 (2)
S1—C4—H4B109.0C32—C31—C30122.2 (4)
H4A—C4—H4B107.8C32—C31—H31118.9
C10—C5—C6120.8 (3)C30—C31—H31118.9
C10—C5—S1118.8 (2)C33—C32—C31119.9 (4)
C6—C5—S1120.4 (3)C33—C32—H32120.0
C5—C6—C7118.8 (3)C31—C32—H32120.0
C5—C6—H6120.6C32—C33—C34120.2 (4)
C7—C6—H6120.6C32—C33—H33119.9
C8—C7—C6120.4 (4)C34—C33—H33119.9
C8—C7—H7119.8C33—C34—C35120.2 (4)
C6—C7—H7119.8C33—C34—H34119.9
C7—C8—C9120.8 (4)C35—C34—H34119.9
C7—C8—H8119.6C30—C35—C34121.0 (4)
C9—C8—H8119.6C30—C35—H35119.5
C8—C9—C10119.4 (4)C34—C35—H35119.5
C8—C9—H9120.3C37—C36—C39109.2 (3)
C10—C9—H9120.3C37—C36—C38108.7 (3)
C5—C10—C9119.8 (3)C39—C36—C38107.9 (3)
C5—C10—H10120.1C37—C36—Si1109.5 (2)
C9—C10—H10120.1C39—C36—Si1113.3 (2)
C16—C11—C12120.4 (3)C38—C36—Si1108.1 (2)
C16—C11—S2119.6 (2)C36—C37—H37A109.5
C12—C11—S2120.0 (2)C36—C37—H37B109.5
C13—C12—C11119.0 (3)H37A—C37—H37B109.5
C13—C12—H12120.5C36—C37—H37C109.5
C11—C12—H12120.5H37A—C37—H37C109.5
C12—C13—C14121.9 (3)H37B—C37—H37C109.5
C12—C13—H13119.0C36—C38—H38A109.5
C14—C13—H13119.0C36—C38—H38B109.5
C15—C14—C13118.1 (3)H38A—C38—H38B109.5
C15—C14—C17120.7 (3)C36—C38—H38C109.5
C13—C14—C17121.2 (3)H38A—C38—H38C109.5
C16—C15—C14121.2 (3)H38B—C38—H38C109.5
C16—C15—H15119.4C36—C39—H39A109.5
C14—C15—H15119.4C36—C39—H39B109.5
C15—C16—C11119.4 (3)H39A—C39—H39B109.5
C15—C16—H16120.3C36—C39—H39C109.5
C11—C16—H16120.3H39A—C39—H39C109.5
C14—C17—H17A109.5H39B—C39—H39C109.5
C14—C17—H17B109.5C1—N1—S2119.54 (17)
H17A—C17—H17B109.5C1—N1—H1A120.2
C14—C17—H17C109.5S2—N1—H1A120.2
H17A—C17—H17C109.5C3—O3—Si1133.35 (16)
H17B—C17—H17C109.5O2—S1—O1119.1 (2)
C23—C18—C19119.3 (3)O2—S1—C5107.71 (15)
C23—C18—C1121.0 (3)O1—S1—C5109.37 (16)
C19—C18—C1119.6 (3)O2—S1—C4110.08 (16)
C18—C19—C20120.3 (3)O1—S1—C4107.12 (15)
C18—C19—H19119.9C5—S1—C4102.12 (13)
C20—C19—H19119.9O4—S2—O5119.36 (12)
C21—C20—C19119.2 (4)O4—S2—N1107.62 (11)
C21—C20—H20120.4O5—S2—N1105.10 (11)
C19—C20—H20120.4O4—S2—C11107.95 (12)
C22—C21—C20121.3 (4)O5—S2—C11108.12 (12)
C22—C21—H21119.3N1—S2—C11108.25 (12)
C20—C21—H21119.3O3—Si1—C30105.24 (12)
C21—C22—C23119.7 (4)O3—Si1—C24109.46 (11)
C21—C22—H22120.2C30—Si1—C24111.28 (13)
C23—C22—H22120.2O3—Si1—C36108.98 (11)
C18—C23—C22120.2 (4)C30—Si1—C36107.58 (12)
C18—C23—H23119.9C24—Si1—C36113.92 (13)
N1—C1—C2—C339.2 (3)C31—C32—C33—C340.7 (6)
C18—C1—C2—C3162.8 (2)C32—C33—C34—C350.2 (6)
N1—C1—C2—Br1164.84 (17)C31—C30—C35—C341.6 (5)
C18—C1—C2—Br171.6 (2)Si1—C30—C35—C34173.1 (3)
C1—C2—C3—O3177.1 (2)C33—C34—C35—C301.0 (6)
Br1—C2—C3—O353.7 (2)C18—C1—N1—S290.7 (2)
C1—C2—C3—C456.2 (3)C2—C1—N1—S2144.92 (18)
Br1—C2—C3—C467.2 (2)C4—C3—O3—Si1167.12 (19)
O3—C3—C4—S174.0 (2)C2—C3—O3—Si169.1 (3)
C2—C3—C4—S1162.85 (18)C10—C5—S1—O223.0 (3)
C10—C5—C6—C70.7 (5)C6—C5—S1—O2157.9 (3)
S1—C5—C6—C7178.3 (2)C10—C5—S1—O1153.9 (3)
C5—C6—C7—C80.3 (5)C6—C5—S1—O127.1 (3)
C6—C7—C8—C91.3 (6)C10—C5—S1—C492.9 (3)
C7—C8—C9—C101.3 (6)C6—C5—S1—C486.1 (3)
C6—C5—C10—C90.7 (5)C3—C4—S1—O273.2 (2)
S1—C5—C10—C9178.3 (3)C3—C4—S1—O157.7 (2)
C8—C9—C10—C50.2 (5)C3—C4—S1—C5172.6 (2)
C16—C11—C12—C131.1 (5)C1—N1—S2—O453.2 (2)
S2—C11—C12—C13179.1 (3)C1—N1—S2—O5178.62 (18)
C11—C12—C13—C140.6 (5)C1—N1—S2—C1163.3 (2)
C12—C13—C14—C150.2 (5)C16—C11—S2—O4178.7 (2)
C12—C13—C14—C17179.3 (4)C12—C11—S2—O41.1 (3)
C13—C14—C15—C160.5 (5)C16—C11—S2—O550.9 (3)
C17—C14—C15—C16178.9 (3)C12—C11—S2—O5129.3 (2)
C14—C15—C16—C110.1 (5)C16—C11—S2—N162.5 (3)
C12—C11—C16—C150.7 (4)C12—C11—S2—N1117.3 (2)
S2—C11—C16—C15179.5 (2)C3—O3—Si1—C30131.7 (2)
N1—C1—C18—C23121.5 (3)C3—O3—Si1—C2412.1 (3)
C2—C1—C18—C23116.1 (3)C3—O3—Si1—C36113.1 (2)
N1—C1—C18—C1955.3 (3)C35—C30—Si1—O325.4 (3)
C2—C1—C18—C1967.1 (3)C31—C30—Si1—O3160.2 (2)
C23—C18—C19—C200.6 (4)C35—C30—Si1—C24143.9 (2)
C1—C18—C19—C20176.3 (3)C31—C30—Si1—C2441.7 (3)
C18—C19—C20—C210.2 (5)C35—C30—Si1—C3690.7 (2)
C19—C20—C21—C220.9 (6)C31—C30—Si1—C3683.7 (3)
C20—C21—C22—C230.7 (6)C25—C24—Si1—O397.1 (3)
C19—C18—C23—C220.8 (5)C29—C24—Si1—O375.8 (3)
C1—C18—C23—C22176.0 (3)C25—C24—Si1—C3018.8 (3)
C21—C22—C23—C180.1 (6)C29—C24—Si1—C30168.3 (3)
C29—C24—C25—C260.0 (5)C25—C24—Si1—C36140.6 (2)
Si1—C24—C25—C26173.3 (3)C29—C24—Si1—C3646.5 (3)
C24—C25—C26—C271.1 (6)C37—C36—Si1—O3179.7 (2)
C25—C26—C27—C281.4 (6)C39—C36—Si1—O358.1 (3)
C26—C27—C28—C290.6 (6)C38—C36—Si1—O361.5 (2)
C27—C28—C29—C240.5 (6)C37—C36—Si1—C3066.1 (2)
C25—C24—C29—C280.8 (5)C39—C36—Si1—C30171.7 (2)
Si1—C24—C29—C28174.0 (3)C38—C36—Si1—C3052.1 (2)
C35—C30—C31—C321.2 (5)C37—C36—Si1—C2457.7 (3)
Si1—C30—C31—C32173.4 (2)C39—C36—Si1—C2464.5 (3)
C30—C31—C32—C330.0 (5)C38—C36—Si1—C24176.0 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1···O40.982.583.027 (5)108
C4—H4A···O40.972.573.493 (3)160
C10—H10···O20.932.542.904 (2)104
C12—H12···O40.932.522.896 (2)105
N1—H1A···O5i0.862.402.966 (3)124
Symmetry code: (i) x+1, y+1, z+1.
 

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