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The title compound, C30H33NO6·1.5CHCl3, a derivative of L-DOPA, forms chains in its crystal structure, via weak N—H...O=C hydrogen bonds involving the carbamate N—H and carbonyl groups of adjacent mol­ecules, supported by N—H...O=C interactions of the same carbonyl. The staggered conformation about the C—C bond joining the di­methoxy­phenyl group to the chiral centre is similar to that in L-DOPA, but different from that in the iodo derivative from which the title compound was prepared. Extensive disorder of the chloro­form solvent mol­ecules, which could not be modelled by discrete atomic sites, prevents the confirmation of the absolute configuration of the main mol­ecule on the basis of anomalous scattering effects of chlorine atoms, demonstrating a limitation of this otherwise useful technique.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803025819/bt6382sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803025819/bt6382Isup2.hkl
Contains datablock I

CCDC reference: 227890

Key indicators

  • Single-crystal X-ray study
  • T = 160 K
  • Mean [sigma](C-C) = 0.005 Å
  • Some non-H atoms missing
  • R factor = 0.053
  • wR factor = 0.153
  • Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Alert level A CHEMW03_ALERT_2_A ALERT: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.90 <> 1.10 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_weight 682.63 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 30.00 360.33 H 1.01 33.00 33.26 N 14.01 1.00 14.01 O 16.00 6.00 95.99 Cl 35.45 0.00 0.00 Calculated formula weight 503.59
Author Response: The quoted formula includes disordered solvent modelled by PLATON/SQUEEZE and not part of the atom list
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.93
Author Response: The data coverage at the highest values of theta (>55 degrees) is incomplete because of mechanical restrictions of the low-temperature device
PLAT043_ALERT_1_A Check Reported Molecular Weight ................     682.63
Author Response: The quoted formula includes disordered solvent modelled by PLATON/SQUEEZE and not part of the atom list
PLAT044_ALERT_1_A Calculated and Reported Dx Differ ..............          ?
Author Response: The quoted formula includes disordered solvent modelled by PLATON/SQUEEZE and not part of the atom list
PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .      85.68 Perc.
Author Response: The quoted formula includes disordered solvent modelled by PLATON/SQUEEZE and not part of the atom list

Alert level C RADNW01_ALERT_1_C The radiation wavelength lies outside the expected range for the supplied radiation type. Expected range 1.54175-1.54180 Wavelength given = 1.54184 PLAT032_ALERT_4_C Std Uncertainty in Flack Parameter too High .... 0.30 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.13 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT602_ALERT_4_C VERY LARGE Solvent Accessible VOID(S) in Structure !
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C31.5 H34.5 Cl4.5 N1 O6 Atom count from the _atom_site data: C30 H33 N1 O6 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C31.50 H34.50 Cl4.50 N O6 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 63.00 60.00 3.00 H 69.00 66.00 3.00 Cl 9.00 0.00 9.00 N 2.00 2.00 0.00 O 12.00 12.00 0.00 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 67.21 From the CIF: _reflns_number_total 5020 Count of symmetry unique reflns 3235 Completeness (_total/calc) 155.18% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1785 Fraction of Friedel pairs measured 0.552 Are heavy atom types Z>Si present no
5 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: DIF4 (Stoe & Cie, 1988); cell refinement: DIF4; data reduction: local programs; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.

(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(3',4'-dimethoxyphenyl)propionic acid tert-butyl ester chloroform sesquisolvate top
Crystal data top
C30H33NO6·1.5CHCl3F(000) = 710
Mr = 682.63Dx = 1.408 Mg m3
Monoclinic, P21Cu Kα radiation, λ = 1.54184 Å
a = 12.1419 (11) ÅCell parameters from 56 reflections
b = 5.3779 (6) Åθ = 19.2–24.9°
c = 24.926 (2) ŵ = 4.09 mm1
β = 98.435 (10)°T = 160 K
V = 1610.0 (3) Å3Plate, colourless
Z = 20.33 × 0.15 × 0.08 mm
Data collection top
Stoe-Siemens four-circle
diffractometer
4567 reflections with I > 2σ(I)
Radiation source: Bede MicrosourceRint = 0.037
8 micron Ni filter monochromatorθmax = 67.2°, θmin = 3.6°
ω/θ scans with on–line profile fitting (Clegg, 1981)h = 1414
Absorption correction: multi-scan
(SHELXTL; Sheldrick, 2001)
k = 66
Tmin = 0.571, Tmax = 0.721l = 2728
8184 measured reflections5 standard reflections every 60 min
5020 independent reflections intensity decay: 1%
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.053 w = 1/[σ2(Fo2) + (0.0588P)2 + 1.03P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.153(Δ/σ)max < 0.001
S = 1.14Δρmax = 0.31 e Å3
5020 reflectionsΔρmin = 0.28 e Å3
341 parametersExtinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
1 restraintExtinction coefficient: 0.0100 (8)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983), 2019 Friedel pairs
Secondary atom site location: difference Fourier mapAbsolute structure parameter: 0.2 (3)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.4309 (2)0.9455 (5)0.37704 (12)0.0298 (6)
H10.39811.05530.34940.036*
C20.5462 (2)0.9545 (5)0.39464 (12)0.0285 (6)
C30.5938 (2)0.7913 (6)0.43555 (12)0.0308 (6)
C40.5283 (2)0.6235 (6)0.45789 (12)0.0335 (7)
H40.56090.51120.48510.040*
C50.4134 (2)0.6185 (6)0.44043 (13)0.0343 (7)
H50.36820.50500.45660.041*
C60.3648 (2)0.7762 (6)0.39998 (12)0.0304 (6)
O10.61740 (16)1.1130 (4)0.37392 (9)0.0404 (6)
C70.5687 (3)1.2757 (7)0.33145 (14)0.0447 (8)
H7A0.51311.38200.34490.067*
H7B0.53271.17680.30080.067*
H7C0.62691.37970.31960.067*
O20.70702 (15)0.8155 (4)0.45125 (8)0.0372 (5)
C80.7568 (3)0.6385 (7)0.49009 (14)0.0451 (8)
H8A0.74390.47030.47540.068*
H8B0.72370.65410.52350.068*
H8C0.83710.66970.49810.068*
C90.2409 (2)0.7583 (5)0.37971 (13)0.0302 (6)
H9A0.21540.91370.36050.036*
H9B0.19990.74010.41100.036*
C100.2141 (2)0.5359 (6)0.34114 (12)0.0304 (7)
H100.25190.38580.35900.036*
C110.0898 (2)0.4842 (5)0.33061 (13)0.0323 (7)
O30.02860 (18)0.5547 (4)0.29049 (9)0.0436 (6)
O40.05982 (15)0.3575 (4)0.37208 (8)0.0347 (5)
C120.0575 (2)0.2753 (6)0.37180 (13)0.0326 (7)
C130.0935 (3)0.1097 (6)0.32394 (14)0.0417 (8)
H13A0.03690.01870.32200.062*
H13B0.10250.20900.29060.062*
H13C0.16450.03070.32800.062*
C140.1336 (3)0.5002 (6)0.37261 (15)0.0411 (8)
H14A0.20610.44620.38120.062*
H14B0.14360.58060.33690.062*
H14C0.10000.61840.40020.062*
C150.0489 (3)0.1367 (7)0.42536 (14)0.0421 (8)
H15A0.00570.00220.42590.063*
H15B0.12170.06660.42950.063*
H15C0.02510.25190.45530.063*
N10.25893 (19)0.5802 (5)0.29144 (10)0.0337 (6)
H1A0.27370.73260.28180.040*
C160.2778 (2)0.3850 (6)0.25989 (13)0.0323 (7)
O50.26403 (18)0.1684 (4)0.27130 (9)0.0374 (5)
O60.31859 (18)0.4624 (4)0.21537 (9)0.0395 (5)
C170.3536 (3)0.2657 (7)0.18178 (14)0.0412 (7)
H17A0.28810.19000.15940.049*
H17B0.39350.13440.20480.049*
C180.4304 (3)0.3820 (6)0.14562 (13)0.0379 (7)
H180.38980.51370.12220.045*
C190.5373 (3)0.4861 (6)0.17632 (12)0.0358 (7)
C200.5532 (3)0.6770 (6)0.21357 (13)0.0410 (7)
H200.49120.76140.22430.049*
C210.6625 (3)0.7450 (7)0.23542 (15)0.0487 (9)
H210.67450.87600.26120.058*
C220.7523 (3)0.6227 (8)0.21972 (15)0.0511 (9)
H220.82570.67220.23440.061*
C230.7371 (3)0.4289 (8)0.18282 (14)0.0495 (9)
H230.79940.34300.17280.059*
C240.6293 (3)0.3613 (6)0.16049 (13)0.0410 (8)
C250.5887 (3)0.1715 (7)0.12087 (13)0.0428 (8)
C260.6448 (4)0.0076 (8)0.09507 (15)0.0538 (10)
H260.72370.01700.10220.065*
C270.5863 (4)0.1702 (8)0.05946 (15)0.0587 (11)
H270.62510.29220.04200.070*
C280.4713 (4)0.1592 (8)0.04859 (15)0.0593 (11)
H280.43190.27230.02350.071*
C290.4121 (4)0.0193 (7)0.07465 (15)0.0519 (9)
H290.33320.02710.06760.062*
C300.4722 (3)0.1827 (7)0.11076 (13)0.0413 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0237 (13)0.0301 (14)0.0357 (16)0.0012 (11)0.0045 (11)0.0014 (13)
C20.0251 (13)0.0270 (14)0.0347 (16)0.0025 (11)0.0081 (11)0.0012 (13)
C30.0211 (12)0.0372 (15)0.0337 (16)0.0007 (12)0.0025 (11)0.0024 (14)
C40.0284 (14)0.0371 (17)0.0345 (16)0.0009 (13)0.0031 (12)0.0035 (14)
C50.0317 (14)0.0329 (16)0.0391 (17)0.0028 (13)0.0078 (12)0.0066 (14)
C60.0251 (13)0.0300 (14)0.0369 (17)0.0036 (12)0.0074 (12)0.0028 (13)
O10.0311 (10)0.0443 (13)0.0455 (13)0.0051 (10)0.0048 (9)0.0171 (11)
C70.0409 (17)0.0470 (19)0.046 (2)0.0070 (15)0.0052 (15)0.0204 (17)
O20.0234 (9)0.0480 (13)0.0391 (12)0.0018 (9)0.0008 (8)0.0089 (11)
C80.0339 (16)0.056 (2)0.0432 (19)0.0107 (15)0.0025 (14)0.0077 (18)
C90.0203 (12)0.0291 (14)0.0408 (17)0.0033 (11)0.0034 (11)0.0053 (13)
C100.0255 (14)0.0298 (14)0.0368 (17)0.0024 (11)0.0077 (12)0.0015 (13)
C110.0284 (14)0.0278 (14)0.0417 (18)0.0035 (12)0.0085 (13)0.0016 (14)
O30.0328 (11)0.0487 (14)0.0476 (14)0.0015 (10)0.0005 (10)0.0081 (11)
O40.0250 (9)0.0372 (11)0.0423 (12)0.0088 (9)0.0064 (8)0.0035 (10)
C120.0231 (13)0.0283 (14)0.0466 (18)0.0059 (12)0.0053 (12)0.0004 (14)
C130.0433 (17)0.0288 (16)0.051 (2)0.0038 (14)0.0023 (15)0.0049 (15)
C140.0321 (15)0.0349 (17)0.058 (2)0.0006 (13)0.0125 (14)0.0056 (16)
C150.0346 (15)0.0414 (17)0.051 (2)0.0076 (14)0.0087 (14)0.0076 (16)
N10.0339 (13)0.0293 (13)0.0397 (15)0.0043 (11)0.0112 (11)0.0001 (11)
C160.0293 (14)0.0346 (15)0.0339 (17)0.0008 (12)0.0072 (12)0.0015 (13)
O50.0422 (11)0.0306 (11)0.0400 (13)0.0019 (9)0.0076 (9)0.0011 (10)
O60.0467 (12)0.0351 (11)0.0397 (12)0.0041 (10)0.0161 (10)0.0006 (10)
C170.0490 (18)0.0376 (16)0.0397 (18)0.0025 (15)0.0151 (15)0.0008 (15)
C180.0403 (16)0.0413 (17)0.0327 (17)0.0036 (14)0.0074 (13)0.0020 (14)
C190.0423 (17)0.0338 (15)0.0311 (16)0.0021 (13)0.0051 (13)0.0025 (14)
C200.0461 (17)0.0360 (17)0.0404 (18)0.0070 (15)0.0041 (14)0.0046 (16)
C210.0497 (19)0.049 (2)0.046 (2)0.0033 (17)0.0005 (16)0.0044 (17)
C220.0458 (19)0.059 (2)0.047 (2)0.0029 (17)0.0020 (16)0.0046 (19)
C230.0383 (17)0.066 (3)0.045 (2)0.0068 (17)0.0076 (15)0.0065 (19)
C240.0477 (18)0.0423 (18)0.0348 (17)0.0052 (15)0.0122 (14)0.0026 (15)
C250.0534 (19)0.0446 (18)0.0327 (17)0.0079 (16)0.0137 (15)0.0076 (16)
C260.069 (2)0.054 (2)0.044 (2)0.0146 (19)0.0249 (18)0.0028 (19)
C270.092 (3)0.048 (2)0.042 (2)0.008 (2)0.028 (2)0.0015 (18)
C280.097 (3)0.050 (2)0.033 (2)0.005 (2)0.019 (2)0.0056 (18)
C290.070 (2)0.049 (2)0.0386 (19)0.0066 (18)0.0129 (17)0.0024 (17)
C300.0513 (18)0.0413 (17)0.0324 (17)0.0013 (16)0.0102 (14)0.0016 (15)
Geometric parameters (Å, º) top
C1—H10.950C14—H14C0.980
C1—C21.405 (4)C15—H15A0.980
C1—C61.391 (4)C15—H15B0.980
C2—C31.404 (4)C15—H15C0.980
C2—O11.368 (3)N1—H1A0.880
C3—C41.373 (4)N1—C161.352 (4)
C3—O21.380 (3)C16—O51.216 (4)
C4—H40.950C16—O61.346 (4)
C4—C51.399 (4)O6—C171.451 (4)
C5—H50.950C17—H17A0.990
C5—C61.382 (4)C17—H17B0.990
C6—C91.518 (4)C17—C181.523 (4)
O1—C71.433 (4)C18—H181.000
C7—H7A0.980C18—C191.514 (4)
C7—H7B0.980C18—C301.514 (5)
C7—H7C0.980C19—C201.378 (5)
O2—C81.427 (4)C19—C241.409 (4)
C8—H8A0.980C20—H200.950
C8—H8B0.980C20—C211.408 (5)
C8—H8C0.980C21—H210.950
C9—H9A0.990C21—C221.379 (5)
C9—H9B0.990C22—H220.950
C9—C101.539 (4)C22—C231.384 (6)
C10—H101.000C23—H230.950
C10—C111.519 (4)C23—C241.393 (5)
C10—N11.444 (4)C24—C251.455 (5)
C11—O31.216 (4)C25—C261.391 (5)
C11—O41.333 (4)C25—C301.401 (5)
O4—C121.491 (3)C26—H260.950
C12—C131.501 (4)C26—C271.368 (6)
C12—C141.523 (4)C27—H270.950
C12—C151.519 (5)C27—C281.384 (6)
C13—H13A0.980C28—H280.950
C13—H13B0.980C28—C291.413 (6)
C13—H13C0.980C29—H290.950
C14—H14A0.980C29—C301.386 (5)
C14—H14B0.980
H1—C1—C2119.9H14A—C14—H14C109.5
H1—C1—C6119.9H14B—C14—H14C109.5
C2—C1—C6120.2 (3)C12—C15—H15A109.5
C1—C2—C3119.3 (2)C12—C15—H15B109.5
C1—C2—O1124.0 (3)C12—C15—H15C109.5
C3—C2—O1116.6 (2)H15A—C15—H15B109.5
C2—C3—C4120.3 (2)H15A—C15—H15C109.5
C2—C3—O2115.7 (2)H15B—C15—H15C109.5
C4—C3—O2124.0 (3)C10—N1—H1A120.4
C3—C4—H4120.1C10—N1—C16119.2 (2)
C3—C4—C5119.7 (3)H1A—N1—C16120.4
H4—C4—C5120.1N1—C16—O5124.5 (3)
C4—C5—H5119.5N1—C16—O6110.7 (3)
C4—C5—C6121.0 (3)O5—C16—O6124.7 (3)
H5—C5—C6119.5C16—O6—C17115.1 (2)
C1—C6—C5119.4 (3)O6—C17—H17A110.2
C1—C6—C9120.6 (3)O6—C17—H17B110.2
C5—C6—C9120.0 (3)O6—C17—C18107.4 (3)
C2—O1—C7116.4 (2)H17A—C17—H17B108.5
O1—C7—H7A109.5H17A—C17—C18110.2
O1—C7—H7B109.5H17B—C17—C18110.2
O1—C7—H7C109.5C17—C18—H18110.2
H7A—C7—H7B109.5C17—C18—C19114.0 (3)
H7A—C7—H7C109.5C17—C18—C30109.6 (3)
H7B—C7—H7C109.5H18—C18—C19110.2
C3—O2—C8115.8 (2)H18—C18—C30110.2
O2—C8—H8A109.5C19—C18—C30102.5 (3)
O2—C8—H8B109.5C18—C19—C20129.9 (3)
O2—C8—H8C109.5C18—C19—C24109.8 (3)
H8A—C8—H8B109.5C20—C19—C24120.3 (3)
H8A—C8—H8C109.5C19—C20—H20120.5
H8B—C8—H8C109.5C19—C20—C21119.0 (3)
C6—C9—H9A109.3H20—C20—C21120.5
C6—C9—H9B109.3C20—C21—H21119.8
C6—C9—C10111.4 (2)C20—C21—C22120.5 (4)
H9A—C9—H9B108.0H21—C21—C22119.8
H9A—C9—C10109.3C21—C22—H22119.6
H9B—C9—C10109.3C21—C22—C23120.9 (3)
C9—C10—H10108.0H22—C22—C23119.6
C9—C10—C11111.3 (2)C22—C23—H23120.4
C9—C10—N1109.6 (2)C22—C23—C24119.2 (3)
H10—C10—C11108.0H23—C23—C24120.4
H10—C10—N1108.0C19—C24—C23120.1 (3)
C11—C10—N1111.8 (2)C19—C24—C25108.7 (3)
C10—C11—O3123.9 (3)C23—C24—C25131.3 (3)
C10—C11—O4109.7 (2)C24—C25—C26131.2 (3)
O3—C11—O4126.4 (3)C24—C25—C30109.0 (3)
C11—O4—C12121.2 (2)C26—C25—C30119.8 (4)
O4—C12—C13110.2 (2)C25—C26—H26120.0
O4—C12—C14110.2 (2)C25—C26—C27120.0 (4)
O4—C12—C15101.4 (2)H26—C26—C27120.0
C13—C12—C14112.0 (3)C26—C27—H27119.6
C13—C12—C15112.4 (3)C26—C27—C28120.8 (4)
C14—C12—C15110.0 (3)H27—C27—C28119.6
C12—C13—H13A109.5C27—C28—H28119.8
C12—C13—H13B109.5C27—C28—C29120.3 (4)
C12—C13—H13C109.5H28—C28—C29119.8
H13A—C13—H13B109.5C28—C29—H29120.8
H13A—C13—H13C109.5C28—C29—C30118.4 (4)
H13B—C13—H13C109.5H29—C29—C30120.8
C12—C14—H14A109.5C18—C30—C25110.0 (3)
C12—C14—H14B109.5C18—C30—C29129.3 (3)
C12—C14—H14C109.5C25—C30—C29120.7 (3)
H14A—C14—H14B109.5
C6—C1—C2—C30.0 (4)O6—C17—C18—C1964.1 (3)
C6—C1—C2—O1179.3 (3)O6—C17—C18—C30178.4 (3)
C1—C2—C3—C40.4 (4)C17—C18—C19—C2063.2 (4)
C1—C2—C3—O2178.8 (3)C17—C18—C19—C24118.6 (3)
O1—C2—C3—C4178.9 (3)C30—C18—C19—C20178.4 (3)
O1—C2—C3—O21.9 (4)C30—C18—C19—C240.3 (3)
C2—C3—C4—C51.2 (5)C18—C19—C20—C21177.9 (3)
O2—C3—C4—C5177.9 (3)C24—C19—C20—C210.0 (5)
C3—C4—C5—C61.6 (5)C19—C20—C21—C220.1 (5)
C4—C5—C6—C11.2 (5)C20—C21—C22—C230.9 (6)
C4—C5—C6—C9176.9 (3)C21—C22—C23—C241.5 (5)
C2—C1—C6—C50.4 (4)C22—C23—C24—C191.3 (5)
C2—C1—C6—C9177.6 (3)C22—C23—C24—C25178.9 (3)
C1—C2—O1—C70.5 (4)C18—C19—C24—C23178.9 (3)
C3—C2—O1—C7178.8 (3)C18—C19—C24—C251.3 (4)
C2—C3—O2—C8175.8 (3)C20—C19—C24—C230.6 (5)
C4—C3—O2—C85.1 (4)C20—C19—C24—C25179.6 (3)
C1—C6—C9—C10100.6 (3)C19—C24—C25—C26176.5 (3)
C5—C6—C9—C1077.4 (3)C19—C24—C25—C301.8 (4)
C6—C9—C10—C11167.7 (3)C23—C24—C25—C263.4 (6)
C6—C9—C10—N168.1 (3)C23—C24—C25—C30178.4 (4)
C9—C10—C11—O398.7 (3)C24—C25—C26—C27178.9 (4)
C9—C10—C11—O480.0 (3)C30—C25—C26—C270.8 (5)
N1—C10—C11—O324.3 (4)C25—C26—C27—C280.0 (6)
N1—C10—C11—O4157.1 (2)C26—C27—C28—C290.7 (6)
C10—C11—O4—C12178.3 (2)C27—C28—C29—C300.5 (5)
O3—C11—O4—C123.1 (5)C28—C29—C30—C18177.1 (3)
C11—O4—C12—C1359.2 (3)C28—C29—C30—C250.3 (5)
C11—O4—C12—C1465.0 (3)C24—C25—C30—C181.6 (4)
C11—O4—C12—C15178.5 (3)C24—C25—C30—C29179.4 (3)
C9—C10—N1—C16158.5 (2)C26—C25—C30—C18176.9 (3)
C11—C10—N1—C1677.5 (3)C26—C25—C30—C290.9 (5)
C10—N1—C16—O53.2 (4)C17—C18—C30—C25120.6 (3)
C10—N1—C16—O6179.5 (2)C17—C18—C30—C2957.0 (4)
N1—C16—O6—C17173.3 (2)C19—C18—C30—C250.8 (3)
O5—C16—O6—C173.9 (4)C19—C18—C30—C29178.4 (3)
C16—O6—C17—C18161.5 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···O5i0.882.363.204 (3)161
C1—H1···O5i0.952.423.305 (4)154
Symmetry code: (i) x, y+1, z.
 

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