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The title compound, C30H48N4O4, displays approximate twofold symmetry in the central part of the mol­ecule, but the ethyl groups depart from this symmetry. The carbonyl O atoms point alternately to different sides of the plane defined by the carbonyl C atoms. Four C—H...O interactions link the mol­ecules to form layers parallel to the bc plane.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803013898/bt6292sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803013898/bt6292Isup2.hkl
Contains datablock I

CCDC reference: 221673

Key indicators

  • Single-crystal X-ray study
  • T = 133 K
  • Mean [sigma](C-C) = 0.002 Å
  • R factor = 0.042
  • wR factor = 0.116
  • Data-to-parameter ratio = 19.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_320 Alert C Check Hybridisation of C1 in Main Residue . ? PLAT_320 Alert C Check Hybridisation of C5 in Main Residue . ?
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
2 Alert Level C = Please check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1994); software used to prepare material for publication: SHELXL97.

3-Isopropylidene-tetracyclo[3.2.0.02,7.04,6]heptan-1,5,6,7- tetracarboxylic acid tetrakis(diethylamide) top
Crystal data top
C30H48N4O4Z = 2
Mr = 528.72F(000) = 576
Triclinic, P1Dx = 1.176 Mg m3
a = 10.8375 (8) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.6922 (8) ÅCell parameters from 6653 reflections
c = 13.7337 (10) Åθ = 2.2–28.5°
α = 109.065 (3)°µ = 0.08 mm1
β = 101.073 (3)°T = 133 K
γ = 106.800 (3)°Prism, colourless
V = 1493.59 (19) Å30.39 × 0.23 × 0.19 mm
Data collection top
Bruker SMART 1000 CCD
diffractometer
5396 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.033
Graphite monochromatorθmax = 28.3°, θmin = 1.7°
Detector resolution: 8.192 pixels mm-1h = 1414
ω–scank = 1515
17805 measured reflectionsl = 1818
7353 independent reflections
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)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.116H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0586P)2 + 0.0907P]
where P = (Fo2 + 2Fc2)/3
7353 reflections(Δ/σ)max = 0.001
373 parametersΔρmax = 0.42 e Å3
3 restraintsΔρmin = 0.33 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.

Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

9.1385 (0.0020) x - 1.4857 (0.0039) y + 3.5543 (0.0046) z = 3.0982 (0.0022)

* -0.0484 (0.0006) C11 * 0.0487 (0.0006) C16 * -0.0496 (0.0006) C21 * 0.0493 (0.0006) C26 - 0.9638 (0.0013) O1 0.6964 (0.0016) O2 - 0.9108 (0.0014) O3 0.7314 (0.0015) O4

Rms deviation of fitted atoms = 0.0490

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)
O10.20249 (9)0.78494 (9)0.40800 (7)0.0303 (2)
O20.38325 (9)0.38040 (8)0.24123 (8)0.0325 (2)
O30.30457 (9)0.50436 (9)0.04316 (7)0.0332 (2)
O40.44982 (9)1.01521 (8)0.34527 (7)0.0287 (2)
N10.29341 (10)0.70016 (10)0.51542 (8)0.0240 (2)
N20.18476 (11)0.40507 (10)0.23941 (10)0.0357 (3)
N30.46959 (11)0.68472 (10)0.05547 (8)0.0277 (2)
N40.27657 (11)0.87143 (10)0.19391 (9)0.0283 (2)
C10.38238 (11)0.72177 (11)0.36999 (9)0.0197 (2)
C20.52392 (11)0.82734 (11)0.40662 (9)0.0193 (2)
H20.55130.91280.46960.023*
C30.62373 (11)0.76636 (11)0.38673 (9)0.0202 (2)
C40.53939 (11)0.64552 (11)0.28906 (9)0.0208 (2)
H40.57980.58230.25470.025*
C50.39286 (11)0.59675 (11)0.28954 (9)0.0203 (2)
C60.43074 (11)0.67008 (11)0.21909 (9)0.0203 (2)
C70.42035 (11)0.79429 (11)0.29908 (9)0.0193 (2)
C80.75585 (12)0.80992 (12)0.44102 (10)0.0241 (2)
C90.82600 (13)0.93387 (13)0.54204 (11)0.0338 (3)
H9A0.75890.96920.56330.041*
H9B0.89330.99790.52820.041*
H9C0.87160.91560.60070.041*
C100.84586 (12)0.73922 (13)0.40492 (12)0.0321 (3)
H10A0.79160.65850.33990.039*
H10B0.88700.71770.46310.039*
H10C0.91760.79540.38820.039*
C110.28542 (11)0.73851 (11)0.43291 (9)0.0217 (2)
C120.19938 (13)0.71676 (13)0.57739 (11)0.0324 (3)
H12A0.18860.65450.61260.039*
H12B0.10930.69460.52660.039*
C130.24526 (16)0.85370 (16)0.66354 (13)0.0464 (4)
H13A0.33440.87660.71420.056*
H13B0.17930.85760.70320.056*
H13C0.25170.91560.62900.056*
C140.40144 (13)0.66079 (12)0.55725 (10)0.0282 (3)
H14A0.44340.71400.63640.034*
H14B0.47260.67890.52250.034*
C150.35012 (15)0.51725 (14)0.53655 (13)0.0396 (3)
H15A0.27710.49800.56830.048*
H15B0.42480.49690.56980.048*
H15C0.31530.46390.45810.048*
C160.31929 (12)0.45210 (12)0.25344 (10)0.0251 (3)
C170.1234 (2)0.26610 (19)0.2222 (2)0.0314 (6)0.756 (5)
H17A0.05680.25650.26220.038*0.756 (5)
H17B0.19510.23810.25090.038*0.756 (5)
C180.0537 (3)0.1813 (2)0.1035 (2)0.0570 (8)0.756 (5)
H18A0.01810.20840.07560.068*0.756 (5)
H18B0.01370.08980.09320.068*0.756 (5)
H18C0.12000.19020.06420.068*0.756 (5)
C17'0.1000 (6)0.2618 (6)0.1660 (6)0.0297 (17)0.244 (5)
H17C0.00820.24900.12420.036*0.244 (5)
H17D0.14550.22330.11560.036*0.244 (5)
C18'0.0955 (6)0.2072 (6)0.2532 (6)0.045 (2)0.244 (5)
H18D0.18780.22000.29160.054*0.244 (5)
H18E0.03880.11360.21880.054*0.244 (5)
H18F0.05700.25300.30490.054*0.244 (5)
C190.09622 (13)0.47470 (13)0.22217 (12)0.0332 (3)
H19A0.04340.43600.14410.040*
H19B0.15290.56720.24220.040*
C200.00118 (14)0.46942 (15)0.28792 (14)0.0418 (4)
H20A0.06780.37980.25990.050*
H20B0.04850.52800.28210.050*
H20C0.04970.49710.36420.050*
C210.39500 (12)0.61257 (12)0.09818 (10)0.0239 (2)
C220.58444 (13)0.80895 (12)0.12003 (11)0.0295 (3)
H22A0.57480.84770.19250.035*
H22B0.58170.86990.08450.035*
C230.72126 (14)0.79567 (15)0.13429 (13)0.0435 (4)
H23A0.72800.74180.17520.052*
H23B0.79400.88250.17410.052*
H23C0.73020.75420.06280.052*
C240.44416 (15)0.63029 (15)0.06204 (10)0.0368 (3)
H24A0.39920.53390.09150.044*
H24B0.53200.65120.07680.044*
C250.35664 (19)0.6826 (2)0.11906 (13)0.0590 (5)
H25A0.26800.65870.10740.071*
H25B0.34420.64520.19700.071*
H25C0.40060.77810.09000.071*
C260.38140 (11)0.90130 (11)0.28165 (9)0.0215 (2)
C270.25626 (15)0.98161 (14)0.17382 (12)0.0374 (3)
H27A0.28011.05560.24430.045*
H27B0.15910.95530.13470.045*
C280.3401 (2)1.02584 (19)0.10872 (17)0.0594 (5)
H28A0.43611.04810.14530.071*
H28B0.32801.10300.10180.071*
H28C0.31120.95540.03630.071*
C290.17208 (13)0.74177 (13)0.12725 (11)0.0316 (3)
H29A0.20420.67580.14120.038*
H29B0.15830.72510.04970.038*
C300.03673 (14)0.72489 (16)0.14871 (13)0.0438 (4)
H30A0.04910.73940.22500.053*
H30B0.02900.63600.10180.053*
H30C0.00290.78830.13320.053*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0295 (5)0.0371 (5)0.0346 (5)0.0207 (4)0.0162 (4)0.0164 (4)
O20.0338 (5)0.0222 (4)0.0448 (6)0.0137 (4)0.0181 (4)0.0116 (4)
O30.0308 (5)0.0300 (5)0.0254 (5)0.0066 (4)0.0063 (4)0.0011 (4)
O40.0362 (5)0.0218 (4)0.0280 (5)0.0129 (4)0.0098 (4)0.0086 (4)
N10.0236 (5)0.0267 (5)0.0257 (5)0.0103 (4)0.0139 (4)0.0114 (4)
N20.0255 (6)0.0203 (5)0.0564 (8)0.0063 (5)0.0181 (5)0.0089 (5)
N30.0332 (6)0.0299 (6)0.0202 (5)0.0133 (5)0.0118 (4)0.0073 (4)
N40.0302 (5)0.0302 (6)0.0284 (6)0.0172 (5)0.0071 (4)0.0127 (5)
C10.0204 (5)0.0194 (5)0.0212 (6)0.0088 (5)0.0090 (4)0.0078 (5)
C20.0198 (5)0.0188 (5)0.0186 (5)0.0074 (4)0.0070 (4)0.0061 (4)
C30.0222 (5)0.0205 (6)0.0216 (6)0.0093 (5)0.0101 (5)0.0100 (5)
C40.0209 (5)0.0207 (6)0.0233 (6)0.0100 (5)0.0105 (5)0.0083 (5)
C50.0201 (5)0.0199 (6)0.0223 (6)0.0094 (5)0.0100 (4)0.0070 (5)
C60.0207 (5)0.0206 (6)0.0196 (6)0.0088 (5)0.0080 (4)0.0062 (5)
C70.0203 (5)0.0202 (6)0.0182 (5)0.0096 (5)0.0084 (4)0.0058 (4)
C80.0212 (6)0.0230 (6)0.0295 (6)0.0087 (5)0.0093 (5)0.0114 (5)
C90.0235 (6)0.0299 (7)0.0372 (8)0.0081 (6)0.0042 (5)0.0056 (6)
C100.0211 (6)0.0294 (7)0.0462 (8)0.0109 (5)0.0122 (6)0.0136 (6)
C110.0207 (5)0.0201 (6)0.0227 (6)0.0075 (5)0.0094 (5)0.0056 (5)
C120.0325 (7)0.0362 (7)0.0333 (7)0.0115 (6)0.0218 (6)0.0146 (6)
C130.0474 (9)0.0469 (9)0.0417 (9)0.0149 (7)0.0294 (7)0.0080 (7)
C140.0290 (6)0.0321 (7)0.0287 (7)0.0130 (5)0.0112 (5)0.0163 (6)
C150.0463 (8)0.0360 (8)0.0430 (8)0.0175 (7)0.0140 (7)0.0222 (7)
C160.0272 (6)0.0214 (6)0.0270 (6)0.0091 (5)0.0129 (5)0.0078 (5)
C170.0264 (10)0.0233 (11)0.0387 (14)0.0045 (8)0.0067 (10)0.0121 (11)
C180.0614 (15)0.0258 (13)0.0554 (16)0.0100 (11)0.0108 (12)0.0048 (13)
C17'0.023 (3)0.022 (4)0.027 (4)0.004 (3)0.006 (3)0.004 (4)
C18'0.040 (4)0.030 (3)0.080 (5)0.015 (3)0.034 (3)0.031 (4)
C190.0233 (6)0.0266 (7)0.0400 (8)0.0064 (5)0.0105 (6)0.0044 (6)
C200.0262 (7)0.0344 (8)0.0574 (10)0.0082 (6)0.0191 (7)0.0092 (7)
C210.0235 (6)0.0266 (6)0.0224 (6)0.0132 (5)0.0089 (5)0.0067 (5)
C220.0343 (7)0.0285 (7)0.0290 (7)0.0119 (6)0.0178 (6)0.0112 (5)
C230.0346 (8)0.0412 (9)0.0519 (9)0.0125 (7)0.0204 (7)0.0133 (7)
C240.0472 (8)0.0427 (8)0.0221 (7)0.0187 (7)0.0171 (6)0.0102 (6)
C250.0594 (10)0.0945 (14)0.0290 (8)0.0404 (11)0.0124 (8)0.0234 (9)
C260.0241 (6)0.0250 (6)0.0219 (6)0.0135 (5)0.0125 (5)0.0105 (5)
C270.0441 (8)0.0415 (8)0.0384 (8)0.0278 (7)0.0112 (6)0.0213 (7)
C280.0774 (12)0.0665 (12)0.0738 (13)0.0454 (11)0.0397 (10)0.0513 (11)
C290.0277 (6)0.0370 (7)0.0269 (7)0.0153 (6)0.0043 (5)0.0089 (6)
C300.0287 (7)0.0539 (10)0.0493 (9)0.0199 (7)0.0090 (6)0.0198 (8)
Geometric parameters (Å, º) top
O1—C111.2267 (14)C14—C151.5149 (19)
O2—C161.2248 (14)C14—H14A0.9900
O3—C211.2274 (15)C14—H14B0.9900
O4—C261.2277 (14)C15—H15A0.9800
N1—C111.3451 (15)C15—H15B0.9800
N1—C141.4624 (15)C15—H15C0.9800
N1—C121.4629 (15)C17—C181.500 (3)
N2—C161.3508 (16)C17—H17A0.9900
N2—C191.4593 (17)C17—H17B0.9900
N2—C171.484 (2)C18—H18A0.9800
N2—C17'1.522 (6)C18—H18B0.9800
N3—C211.3493 (15)C18—H18C0.9800
N3—C221.4611 (16)C17'—C18'1.532 (9)
N3—C241.4636 (16)C17'—H17C0.9900
N4—C261.3544 (15)C17'—H17D0.9900
N4—C291.4565 (17)C18'—H18D0.9800
N4—C271.4686 (16)C18'—H18E0.9800
C1—C111.4987 (15)C18'—H18F0.9800
C1—C71.5259 (15)C19—C201.5160 (19)
C1—C21.5274 (15)C19—H19A0.9900
C1—C51.5683 (16)C19—H19B0.9900
C2—C31.4782 (15)C20—H20A0.9800
C2—C71.5264 (15)C20—H20B0.9800
C2—H21.0000C20—H20C0.9800
C3—C81.3363 (16)C22—C231.5175 (19)
C3—C41.4749 (16)C22—H22A0.9900
C4—C51.5264 (15)C22—H22B0.9900
C4—C61.5276 (15)C23—H23A0.9800
C4—H41.0000C23—H23B0.9800
C5—C161.5042 (16)C23—H23C0.9800
C5—C61.5267 (15)C24—C251.500 (2)
C6—C211.4941 (16)C24—H24A0.9900
C6—C71.5584 (15)C24—H24B0.9900
C7—C261.5044 (15)C25—H25A0.9800
C8—C91.4992 (18)C25—H25B0.9800
C8—C101.5050 (17)C25—H25C0.9800
C9—H9A0.9800C27—C281.495 (2)
C9—H9B0.9800C27—H27A0.9900
C9—H9C0.9800C27—H27B0.9900
C10—H10A0.9800C28—H28A0.9800
C10—H10B0.9800C28—H28B0.9800
C10—H10C0.9800C28—H28C0.9800
C12—C131.512 (2)C29—C301.5212 (19)
C12—H12A0.9900C29—H29A0.9900
C12—H12B0.9900C29—H29B0.9900
C13—H13A0.9800C30—H30A0.9800
C13—H13B0.9800C30—H30B0.9800
C13—H13C0.9800C30—H30C0.9800
C11—N1—C14124.43 (10)H15A—C15—H15B109.5
C11—N1—C12117.64 (10)C14—C15—H15C109.5
C14—N1—C12117.32 (10)H15A—C15—H15C109.5
C16—N2—C19123.72 (10)H15B—C15—H15C109.5
C16—N2—C17116.14 (12)O2—C16—N2121.50 (11)
C19—N2—C17119.28 (12)O2—C16—C5119.45 (10)
C16—N2—C17'119.1 (2)N2—C16—C5118.99 (10)
C19—N2—C17'105.2 (3)N2—C17—C18110.20 (19)
C21—N3—C22124.09 (10)N2—C17—H17A109.6
C21—N3—C24118.60 (11)C18—C17—H17A109.6
C22—N3—C24117.00 (10)N2—C17—H17B109.6
C26—N4—C29125.44 (10)C18—C17—H17B109.6
C26—N4—C27116.83 (11)H17A—C17—H17B108.1
C29—N4—C27117.15 (10)C18'—C17'—N298.9 (5)
C11—C1—C7125.11 (9)C18'—C17'—H17C112.0
C11—C1—C2121.06 (10)N2—C17'—H17C112.0
C7—C1—C259.99 (7)C18'—C17'—H17D112.0
C11—C1—C5131.89 (9)N2—C17'—H17D112.0
C7—C1—C590.50 (8)H17C—C17'—H17D109.7
C2—C1—C5103.96 (9)C17'—C18'—H18D109.5
C3—C2—C7110.12 (9)C17'—C18'—H18E109.5
C3—C2—C1110.08 (9)H18D—C18'—H18E109.5
C7—C2—C159.96 (7)C17'—C18'—H18F109.5
C3—C2—H2120.6H18D—C18'—H18F109.5
C7—C2—H2120.6H18E—C18'—H18F109.5
C1—C2—H2120.6N2—C19—C20112.70 (12)
C8—C3—C4129.07 (11)N2—C19—H19A109.1
C8—C3—C2129.53 (11)C20—C19—H19A109.1
C4—C3—C2101.39 (9)N2—C19—H19B109.1
C3—C4—C5110.66 (9)C20—C19—H19B109.1
C3—C4—C6109.84 (9)H19A—C19—H19B107.8
C5—C4—C659.99 (7)C19—C20—H20A109.5
C3—C4—H4120.5C19—C20—H20B109.5
C5—C4—H4120.5H20A—C20—H20B109.5
C6—C4—H4120.5C19—C20—H20C109.5
C16—C5—C4118.08 (9)H20A—C20—H20C109.5
C16—C5—C6127.69 (10)H20B—C20—H20C109.5
C4—C5—C660.05 (7)O3—C21—N3123.29 (11)
C16—C5—C1134.13 (9)O3—C21—C6120.55 (11)
C4—C5—C1103.19 (9)N3—C21—C6116.14 (10)
C6—C5—C189.13 (8)N3—C22—C23113.38 (11)
C21—C6—C5126.55 (10)N3—C22—H22A108.9
C21—C6—C4120.54 (9)C23—C22—H22A108.9
C5—C6—C459.97 (7)N3—C22—H22B108.9
C21—C6—C7131.46 (9)C23—C22—H22B108.9
C5—C6—C790.85 (8)H22A—C22—H22B107.7
C4—C6—C7104.05 (9)C22—C23—H23A109.5
C26—C7—C1130.13 (9)C22—C23—H23B109.5
C26—C7—C2118.76 (10)H23A—C23—H23B109.5
C1—C7—C260.06 (7)C22—C23—H23C109.5
C26—C7—C6131.97 (10)H23A—C23—H23C109.5
C1—C7—C689.52 (8)H23B—C23—H23C109.5
C2—C7—C6103.48 (8)N3—C24—C25112.33 (12)
C3—C8—C9122.46 (11)N3—C24—H24A109.1
C3—C8—C10122.65 (12)C25—C24—H24A109.1
C9—C8—C10114.88 (11)N3—C24—H24B109.1
C8—C9—H9A109.5C25—C24—H24B109.1
C8—C9—H9B109.5H24A—C24—H24B107.9
H9A—C9—H9B109.5C24—C25—H25A109.5
C8—C9—H9C109.5C24—C25—H25B109.5
H9A—C9—H9C109.5H25A—C25—H25B109.5
H9B—C9—H9C109.5C24—C25—H25C109.5
C8—C10—H10A109.5H25A—C25—H25C109.5
C8—C10—H10B109.5H25B—C25—H25C109.5
H10A—C10—H10B109.5O4—C26—N4121.23 (10)
C8—C10—H10C109.5O4—C26—C7118.83 (10)
H10A—C10—H10C109.5N4—C26—C7119.86 (10)
H10B—C10—H10C109.5N4—C27—C28112.51 (12)
O1—C11—N1122.59 (10)N4—C27—H27A109.1
O1—C11—C1120.01 (10)C28—C27—H27A109.1
N1—C11—C1117.40 (10)N4—C27—H27B109.1
N1—C12—C13113.58 (11)C28—C27—H27B109.1
N1—C12—H12A108.8H27A—C27—H27B107.8
C13—C12—H12A108.9C27—C28—H28A109.5
N1—C12—H12B108.8C27—C28—H28B109.5
C13—C12—H12B108.9H28A—C28—H28B109.5
H12A—C12—H12B107.7C27—C28—H28C109.5
C12—C13—H13A109.5H28A—C28—H28C109.5
C12—C13—H13B109.5H28B—C28—H28C109.5
H13A—C13—H13B109.5N4—C29—C30113.30 (11)
C12—C13—H13C109.5N4—C29—H29A108.9
H13A—C13—H13C109.5C30—C29—H29A108.9
H13B—C13—H13C109.5N4—C29—H29B108.9
N1—C14—C15112.55 (11)C30—C29—H29B108.9
N1—C14—H14A109.1H29A—C29—H29B107.7
C15—C14—H14A109.1C29—C30—H30A109.5
N1—C14—H14B109.1C29—C30—H30B109.5
C15—C14—H14B109.1H30A—C30—H30B109.5
H14A—C14—H14B107.8C29—C30—H30C109.5
C14—C15—H15A109.5H30A—C30—H30C109.5
C14—C15—H15B109.5H30B—C30—H30C109.5
C11—C1—C2—C3142.47 (10)C2—C3—C8—C10175.61 (11)
C7—C1—C2—C3102.22 (10)C14—N1—C11—O1171.47 (11)
C5—C1—C2—C319.88 (11)C12—N1—C11—O10.67 (17)
C11—C1—C2—C7115.31 (11)C14—N1—C11—C18.96 (17)
C5—C1—C2—C782.35 (9)C12—N1—C11—C1179.76 (10)
C7—C2—C3—C8146.13 (12)C7—C1—C11—O120.21 (17)
C1—C2—C3—C8149.58 (11)C2—C1—C11—O193.33 (13)
C7—C2—C3—C432.58 (11)C5—C1—C11—O1109.96 (14)
C1—C2—C3—C431.71 (11)C7—C1—C11—N1160.21 (11)
C8—C3—C4—C5149.18 (12)C2—C1—C11—N187.08 (13)
C2—C3—C4—C532.10 (11)C5—C1—C11—N169.63 (16)
C8—C3—C4—C6146.43 (12)C11—N1—C12—C1381.84 (15)
C2—C3—C4—C632.29 (11)C14—N1—C12—C1389.63 (14)
C3—C4—C5—C16138.90 (10)C11—N1—C14—C15113.37 (13)
C6—C4—C5—C16119.50 (11)C12—N1—C14—C1575.81 (14)
C3—C4—C5—C6101.60 (10)C19—N2—C16—O2161.87 (12)
C3—C4—C5—C120.41 (11)C17—N2—C16—O27.4 (2)
C6—C4—C5—C181.19 (9)C17'—N2—C16—O224.9 (4)
C11—C1—C5—C165.5 (2)C19—N2—C16—C520.79 (19)
C7—C1—C5—C16146.85 (13)C17—N2—C16—C5169.94 (14)
C2—C1—C5—C16154.03 (12)C17'—N2—C16—C5157.8 (4)
C11—C1—C5—C4159.80 (11)C4—C5—C16—O211.32 (16)
C7—C1—C5—C458.89 (9)C6—C5—C16—O283.68 (15)
C2—C1—C5—C40.23 (10)C1—C5—C16—O2140.05 (13)
C11—C1—C5—C6141.29 (12)C4—C5—C16—N2171.29 (11)
C7—C1—C5—C60.01 (8)C6—C5—C16—N298.92 (14)
C2—C1—C5—C659.14 (9)C1—C5—C16—N237.35 (19)
C16—C5—C6—C213.62 (18)C16—N2—C17—C1899.26 (19)
C4—C5—C6—C21107.58 (12)C19—N2—C17—C1870.5 (2)
C1—C5—C6—C21146.63 (11)C17'—N2—C17—C184.2 (5)
C16—C5—C6—C4103.96 (12)C16—N2—C17'—C18'98.6 (4)
C1—C5—C6—C4105.79 (9)C19—N2—C17'—C18'117.4 (4)
C16—C5—C6—C7150.26 (11)C17—N2—C17'—C18'6.7 (3)
C4—C5—C6—C7105.78 (9)C16—N2—C19—C20136.44 (14)
C1—C5—C6—C70.01 (8)C17—N2—C19—C2054.61 (19)
C3—C4—C6—C21139.78 (10)C17'—N2—C19—C2081.7 (3)
C5—C4—C6—C21117.23 (12)C22—N3—C21—O3175.04 (11)
C3—C4—C6—C5102.99 (10)C24—N3—C21—O31.60 (18)
C3—C4—C6—C720.29 (11)C22—N3—C21—C63.30 (17)
C5—C4—C6—C782.70 (9)C24—N3—C21—C6176.74 (10)
C11—C1—C7—C264.88 (19)C5—C6—C21—O316.84 (17)
C2—C1—C7—C26103.92 (13)C4—C6—C21—O390.22 (13)
C5—C1—C7—C26150.20 (12)C7—C6—C21—O3115.97 (14)
C11—C1—C7—C2108.80 (12)C5—C6—C21—N3161.55 (11)
C5—C1—C7—C2105.88 (9)C4—C6—C21—N388.17 (13)
C11—C1—C7—C6145.31 (11)C7—C6—C21—N365.64 (16)
C2—C1—C7—C6105.89 (8)C21—N3—C22—C2398.31 (14)
C5—C1—C7—C60.01 (8)C24—N3—C22—C2375.22 (14)
C3—C2—C7—C26135.69 (10)C21—N3—C24—C2599.69 (15)
C1—C2—C7—C26122.16 (11)C22—N3—C24—C2586.41 (16)
C3—C2—C7—C1102.15 (10)C29—N4—C26—O4166.04 (11)
C3—C2—C7—C620.66 (11)C27—N4—C26—O44.97 (17)
C1—C2—C7—C681.49 (9)C29—N4—C26—C717.24 (17)
C21—C6—C7—C265.4 (2)C27—N4—C26—C7171.75 (10)
C5—C6—C7—C26149.26 (12)C1—C7—C26—O486.00 (15)
C4—C6—C7—C26151.55 (11)C2—C7—C26—O412.39 (15)
C21—C6—C7—C1143.87 (12)C6—C7—C26—O4135.97 (12)
C5—C6—C7—C10.02 (8)C1—C7—C26—N497.21 (14)
C4—C6—C7—C159.20 (9)C2—C7—C26—N4170.82 (10)
C21—C6—C7—C2157.15 (11)C6—C7—C26—N440.83 (17)
C5—C6—C7—C258.97 (9)C26—N4—C27—C2886.32 (16)
C4—C6—C7—C20.22 (10)C29—N4—C27—C28101.91 (15)
C4—C3—C8—C9177.87 (11)C26—N4—C29—C30104.11 (14)
C2—C3—C8—C93.75 (19)C27—N4—C29—C3066.87 (15)
C4—C3—C8—C102.77 (19)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C9—H9A···O1i0.982.663.2511 (16)119
C2—H2···O4i1.002.413.2105 (14)137
C15—H15B···O2ii0.982.623.3651 (18)133
C24—H24B···O2iii0.992.553.3575 (16)138
Symmetry codes: (i) x+1, y+2, z+1; (ii) x+1, y+1, z+1; (iii) x+1, y+1, z.
 

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