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organic compounds
The NH unit on the exocyclic C=C double bond in the title compound, C30H23N3O, lies on the same side of the double bond as the carbonyl unit of the pyrazolonyl ring, and the two interact through an N—HO hydrogen bond [2.671 (2) Å].
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804014795/bt6476sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804014795/bt6476Isup2.hkl |
CCDC reference: 245330
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.003 Å
- R factor = 0.042
- wR factor = 0.116
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
4-[(Z)-(2-Fluorenylamino)phenylmethylene]-5-methyl-2-phenyl-2H-pyrazol-3(4H)-one top
Crystal data top
C30H23N3O | F(000) = 928 |
Mr = 441.51 | Dx = 1.270 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 934 reflections |
a = 9.700 (1) Å | θ = 2.9–25.7° |
b = 22.441 (3) Å | µ = 0.08 mm−1 |
c = 10.638 (1) Å | T = 298 K |
β = 94.583 (3)° | Block, colorless |
V = 2308.4 (5) Å3 | 0.37 × 0.30 × 0.23 mm |
Z = 4 |
Data collection top
Bruker SMART area-detector diffractometer | 2835 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.035 |
Graphite monochromator | θmax = 27.0°, θmin = 1.8° |
φ and ω scans | h = −12→10 |
13811 measured reflections | k = −28→28 |
5038 independent reflections | l = −11→13 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.042 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.116 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.00 | w = 1/[σ2(Fo2) + (0.05P)2 + 0.2453P] where P = (Fo2 + 2Fc2)/3 |
5038 reflections | (Δ/σ)max = 0.001 |
312 parameters | Δρmax = 0.16 e Å−3 |
0 restraints | Δρmin = −0.15 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
O1 | 0.7523 (1) | 0.5340 (1) | 0.4559 (1) | 0.0539 (4) | |
N1 | 0.7520 (1) | 0.6209 (1) | 0.5774 (1) | 0.0432 (4) | |
N2 | 0.6619 (2) | 0.6688 (1) | 0.5936 (1) | 0.0463 (4) | |
N3 | 0.5141 (2) | 0.5244 (1) | 0.3130 (1) | 0.0474 (4) | |
C1 | 0.8671 (2) | 0.6126 (1) | 0.6669 (2) | 0.0427 (4) | |
C2 | 0.9736 (2) | 0.5743 (1) | 0.6417 (2) | 0.0584 (5) | |
C3 | 1.0814 (2) | 0.5652 (1) | 0.7325 (2) | 0.0721 (6) | |
C4 | 1.0853 (2) | 0.5937 (1) | 0.8466 (2) | 0.0710 (7) | |
C5 | 0.9805 (2) | 0.6323 (1) | 0.8701 (2) | 0.0630 (6) | |
C6 | 0.8718 (2) | 0.6423 (1) | 0.7811 (2) | 0.0520 (5) | |
C7 | 0.6966 (2) | 0.5812 (1) | 0.4889 (2) | 0.0414 (4) | |
C8 | 0.5643 (2) | 0.6060 (1) | 0.4452 (2) | 0.0393 (4) | |
C9 | 0.5531 (2) | 0.6599 (1) | 0.5151 (2) | 0.0422 (4) | |
C10 | 0.4381 (2) | 0.7044 (1) | 0.5115 (2) | 0.0640 (6) | |
C11 | 0.4747 (2) | 0.5775 (1) | 0.3549 (2) | 0.0401 (4) | |
C12 | 0.3401 (2) | 0.6041 (1) | 0.3089 (2) | 0.0397 (4) | |
C13 | 0.3373 (2) | 0.6552 (1) | 0.2357 (2) | 0.0460 (4) | |
C14 | 0.2127 (2) | 0.6810 (1) | 0.1943 (2) | 0.0556 (5) | |
C15 | 0.0915 (2) | 0.6563 (1) | 0.2264 (2) | 0.0638 (6) | |
C16 | 0.0934 (2) | 0.6057 (1) | 0.2995 (2) | 0.0718 (6) | |
C17 | 0.2171 (2) | 0.5793 (1) | 0.3407 (2) | 0.0572 (5) | |
C18 | 0.3780 (2) | 0.4056 (1) | 0.0268 (2) | 0.0432 (4) | |
C19 | 0.3271 (2) | 0.4632 (1) | 0.0208 (2) | 0.0511 (5) | |
C20 | 0.3675 (2) | 0.5032 (1) | 0.1147 (2) | 0.0510 (5) | |
C21 | 0.4585 (2) | 0.4860 (1) | 0.2160 (2) | 0.0437 (4) | |
C22 | 0.5092 (2) | 0.4280 (1) | 0.2226 (2) | 0.0439 (4) | |
C23 | 0.4685 (2) | 0.3879 (1) | 0.1281 (2) | 0.0447 (4) | |
C24 | 0.3548 (2) | 0.3545 (1) | −0.0589 (2) | 0.0447 (4) | |
C25 | 0.2807 (2) | 0.3497 (1) | −0.1752 (2) | 0.0541 (5) | |
C26 | 0.2802 (2) | 0.2953 (1) | −0.2379 (2) | 0.0634 (6) | |
C27 | 0.3507 (2) | 0.2470 (1) | −0.1846 (2) | 0.0649 (6) | |
C28 | 0.4249 (2) | 0.2518 (1) | −0.0688 (2) | 0.0607 (5) | |
C29 | 0.4280 (2) | 0.3055 (1) | −0.0066 (2) | 0.0488 (5) | |
C30 | 0.5056 (2) | 0.3233 (1) | 0.1164 (2) | 0.0554 (5) | |
H3n | 0.604 (2) | 0.5129 (8) | 0.354 (2) | 0.076 (6)* | |
H2 | 0.9725 | 0.5549 | 0.5643 | 0.070* | |
H3 | 1.1525 | 0.5392 | 0.7160 | 0.086* | |
H4 | 1.1580 | 0.5870 | 0.9074 | 0.085* | |
H5 | 0.9829 | 0.6520 | 0.9471 | 0.076* | |
H6 | 0.8019 | 0.6688 | 0.7977 | 0.062* | |
H10a | 0.4545 | 0.7320 | 0.5802 | 0.096* | |
H10b | 0.3520 | 0.6842 | 0.5191 | 0.096* | |
H10c | 0.4342 | 0.7257 | 0.4331 | 0.096* | |
H13 | 0.4197 | 0.6722 | 0.2143 | 0.055* | |
H14 | 0.2111 | 0.7151 | 0.1446 | 0.067* | |
H15 | 0.0076 | 0.6738 | 0.1987 | 0.077* | |
H16 | 0.0107 | 0.5892 | 0.3212 | 0.086* | |
H17 | 0.2179 | 0.5449 | 0.3897 | 0.069* | |
H19 | 0.2658 | 0.4749 | −0.0464 | 0.061* | |
H20 | 0.3337 | 0.5420 | 0.1104 | 0.061* | |
H22 | 0.5700 | 0.4162 | 0.2900 | 0.053* | |
H25 | 0.2324 | 0.3822 | −0.2107 | 0.065* | |
H26 | 0.2318 | 0.2915 | −0.3165 | 0.076* | |
H27 | 0.3482 | 0.2107 | −0.2272 | 0.078* | |
H28 | 0.4722 | 0.2190 | −0.0333 | 0.073* | |
H30a | 0.4751 | 0.3002 | 0.1862 | 0.066* | |
H30b | 0.6045 | 0.3181 | 0.1129 | 0.066* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0580 (8) | 0.0442 (7) | 0.0571 (8) | 0.0159 (6) | −0.0099 (6) | −0.0111 (6) |
N1 | 0.0441 (8) | 0.0394 (8) | 0.0449 (8) | 0.0056 (7) | −0.0037 (7) | −0.0057 (7) |
N2 | 0.0490 (9) | 0.0393 (8) | 0.0499 (9) | 0.0065 (7) | −0.0009 (7) | −0.0052 (7) |
N3 | 0.0497 (9) | 0.0390 (8) | 0.0512 (9) | 0.0068 (7) | −0.0103 (8) | −0.0062 (7) |
C1 | 0.042 (1) | 0.042 (1) | 0.043 (1) | −0.004 (1) | −0.002 (1) | 0.003 (1) |
C2 | 0.050 (1) | 0.060 (1) | 0.064 (1) | 0.008 (1) | −0.005 (1) | −0.013 (1) |
C3 | 0.056 (1) | 0.068 (1) | 0.089 (2) | 0.013 (1) | −0.014 (1) | −0.010 (1) |
C4 | 0.066 (2) | 0.068 (1) | 0.074 (2) | 0.004 (1) | −0.027 (1) | 0.001 (1) |
C5 | 0.066 (1) | 0.073 (1) | 0.048 (1) | −0.003 (1) | −0.009 (1) | −0.004 (1) |
C6 | 0.051 (1) | 0.056 (1) | 0.049 (1) | −0.001 (1) | 0.001 (1) | −0.003 (1) |
C7 | 0.048 (1) | 0.035 (1) | 0.041 (1) | 0.003 (1) | 0.003 (1) | 0.001 (1) |
C8 | 0.044 (1) | 0.035 (1) | 0.038 (1) | 0.005 (1) | 0.001 (1) | 0.000 (1) |
C9 | 0.045 (1) | 0.040 (1) | 0.042 (1) | 0.004 (1) | 0.003 (1) | −0.001 (1) |
C10 | 0.065 (1) | 0.057 (1) | 0.068 (1) | 0.020 (1) | −0.005 (1) | −0.018 (1) |
C11 | 0.045 (1) | 0.036 (1) | 0.039 (1) | 0.001 (1) | 0.001 (1) | 0.004 (1) |
C12 | 0.043 (1) | 0.037 (1) | 0.039 (1) | 0.000 (1) | 0.000 (1) | 0.000 (1) |
C13 | 0.045 (1) | 0.045 (1) | 0.049 (1) | 0.000 (1) | 0.005 (1) | 0.007 (1) |
C14 | 0.057 (1) | 0.050 (1) | 0.060 (1) | 0.005 (1) | 0.001 (1) | 0.015 (1) |
C15 | 0.043 (1) | 0.074 (1) | 0.074 (1) | 0.009 (1) | −0.002 (1) | 0.019 (1) |
C16 | 0.041 (1) | 0.090 (2) | 0.085 (2) | −0.007 (1) | 0.005 (1) | 0.029 (1) |
C17 | 0.051 (1) | 0.056 (1) | 0.064 (1) | −0.005 (1) | 0.000 (1) | 0.022 (1) |
C18 | 0.040 (1) | 0.046 (1) | 0.044 (1) | −0.003 (1) | 0.004 (1) | −0.002 (1) |
C19 | 0.050 (1) | 0.050 (1) | 0.051 (1) | 0.007 (1) | −0.010 (1) | −0.003 (1) |
C20 | 0.059 (1) | 0.040 (1) | 0.052 (1) | 0.010 (1) | −0.008 (1) | −0.004 (1) |
C21 | 0.043 (1) | 0.039 (1) | 0.049 (1) | −0.001 (1) | −0.001 (1) | −0.003 (1) |
C22 | 0.044 (1) | 0.043 (1) | 0.044 (1) | 0.003 (1) | −0.003 (1) | 0.001 (1) |
C23 | 0.047 (1) | 0.040 (1) | 0.048 (1) | 0.001 (1) | 0.006 (1) | 0.002 (1) |
C24 | 0.041 (1) | 0.048 (1) | 0.047 (1) | −0.009 (1) | 0.011 (1) | −0.008 (1) |
C25 | 0.043 (1) | 0.063 (1) | 0.057 (1) | −0.007 (1) | 0.005 (1) | −0.010 (1) |
C26 | 0.051 (1) | 0.081 (2) | 0.059 (1) | −0.020 (1) | 0.011 (1) | −0.024 (1) |
C27 | 0.064 (1) | 0.058 (1) | 0.076 (2) | −0.018 (1) | 0.023 (1) | −0.024 (1) |
C28 | 0.067 (1) | 0.047 (1) | 0.070 (1) | −0.008 (1) | 0.018 (1) | −0.010 (1) |
C29 | 0.051 (1) | 0.045 (1) | 0.052 (1) | −0.004 (1) | 0.014 (1) | −0.004 (1) |
C30 | 0.066 (1) | 0.043 (1) | 0.057 (1) | 0.006 (1) | 0.003 (1) | −0.001 (1) |
Geometric parameters (Å, º) top
O1—C7 | 1.251 (2) | C23—C30 | 1.503 (2) |
N1—C7 | 1.375 (2) | C24—C25 | 1.385 (2) |
N1—N2 | 1.404 (2) | C24—C29 | 1.399 (2) |
N1—C1 | 1.420 (2) | C25—C26 | 1.391 (3) |
N2—C9 | 1.308 (2) | C26—C27 | 1.380 (3) |
N3—C11 | 1.339 (2) | C27—C28 | 1.380 (3) |
N3—C21 | 1.417 (2) | C28—C29 | 1.376 (2) |
C1—C6 | 1.383 (2) | C29—C30 | 1.509 (2) |
C1—C2 | 1.387 (2) | N3—H3n | 0.97 (2) |
C2—C3 | 1.381 (3) | C2—H2 | 0.93 |
C3—C4 | 1.369 (3) | C3—H3 | 0.93 |
C4—C5 | 1.374 (3) | C4—H4 | 0.93 |
C5—C6 | 1.378 (3) | C5—H5 | 0.93 |
C7—C8 | 1.441 (2) | C6—H6 | 0.93 |
C8—C11 | 1.397 (2) | C10—H10a | 0.96 |
C8—C9 | 1.429 (2) | C10—H10b | 0.96 |
C9—C10 | 1.496 (2) | C10—H10c | 0.96 |
C11—C12 | 1.483 (2) | C13—H13 | 0.93 |
C12—C17 | 1.384 (2) | C14—H14 | 0.93 |
C12—C13 | 1.385 (2) | C15—H15 | 0.93 |
C13—C14 | 1.380 (2) | C16—H16 | 0.93 |
C14—C15 | 1.367 (3) | C17—H17 | 0.93 |
C15—C16 | 1.377 (3) | C19—H19 | 0.93 |
C16—C17 | 1.378 (3) | C20—H20 | 0.93 |
C18—C19 | 1.384 (2) | C22—H22 | 0.93 |
C18—C23 | 1.392 (2) | C25—H25 | 0.93 |
C18—C24 | 1.471 (2) | C26—H26 | 0.93 |
C19—C20 | 1.377 (2) | C27—H27 | 0.93 |
C20—C21 | 1.392 (2) | C28—H28 | 0.93 |
C21—C22 | 1.392 (2) | C30—H30a | 0.97 |
C22—C23 | 1.382 (2) | C30—H30b | 0.97 |
C7—N1—N2 | 111.6 (1) | C28—C29—C24 | 120.4 (2) |
C7—N1—C1 | 128.1 (1) | C28—C29—C30 | 129.7 (2) |
N2—N1—C1 | 118.8 (1) | C24—C29—C30 | 109.9 (2) |
C9—N2—N1 | 106.4 (1) | C23—C30—C29 | 102.7 (1) |
C11—N3—C21 | 133.0 (2) | C11—N3—H3n | 111 (1) |
C6—C1—C2 | 119.7 (2) | C21—N3—H3n | 116 (1) |
C6—C1—N1 | 119.6 (2) | C3—C2—H2 | 120.3 |
C2—C1—N1 | 120.7 (2) | C1—C2—H2 | 120.3 |
C3—C2—C1 | 119.4 (2) | C4—C3—H3 | 119.4 |
C4—C3—C2 | 121.1 (2) | C2—C3—H3 | 119.4 |
C3—C4—C5 | 119.1 (2) | C3—C4—H4 | 120.4 |
C4—C5—C6 | 120.9 (2) | C5—C4—H4 | 120.4 |
C5—C6—C1 | 119.7 (2) | C4—C5—H5 | 119.5 |
O1—C7—N1 | 125.9 (2) | C6—C5—H5 | 119.5 |
O1—C7—C8 | 129.0 (2) | C5—C6—H6 | 120.2 |
N1—C7—C8 | 105.0 (1) | C1—C6—H6 | 120.2 |
C11—C8—C9 | 132.5 (2) | C9—C10—H10a | 109.5 |
C11—C8—C7 | 122.3 (2) | C9—C10—H10b | 109.5 |
C9—C8—C7 | 105.2 (1) | H10a—C10—H10b | 109.5 |
N2—C9—C8 | 111.8 (1) | C9—C10—H10c | 109.5 |
N2—C9—C10 | 118.4 (2) | H10a—C10—H10c | 109.5 |
C8—C9—C10 | 129.8 (2) | H10b—C10—H10c | 109.5 |
N3—C11—C8 | 117.2 (2) | C14—C13—H13 | 119.9 |
N3—C11—C12 | 121.0 (1) | C12—C13—H13 | 119.9 |
C8—C11—C12 | 121.8 (2) | C15—C14—H14 | 120.0 |
C17—C12—C13 | 119.6 (2) | C13—C14—H14 | 120.0 |
C17—C12—C11 | 120.7 (2) | C14—C15—H15 | 119.9 |
C13—C12—C11 | 119.7 (2) | C16—C15—H15 | 119.9 |
C14—C13—C12 | 120.2 (2) | C15—C16—H16 | 119.8 |
C15—C14—C13 | 119.9 (2) | C17—C16—H16 | 119.8 |
C14—C15—C16 | 120.2 (2) | C16—C17—H17 | 120.2 |
C15—C16—C17 | 120.5 (2) | C12—C17—H17 | 120.2 |
C16—C17—C12 | 119.6 (2) | C20—C19—H19 | 120.1 |
C19—C18—C23 | 120.2 (2) | C18—C19—H19 | 120.1 |
C19—C18—C24 | 131.6 (2) | C19—C20—H20 | 119.8 |
C23—C18—C24 | 108.2 (2) | C21—C20—H20 | 119.8 |
C20—C19—C18 | 119.7 (2) | C23—C22—H22 | 120.2 |
C19—C20—C21 | 120.5 (2) | C21—C22—H22 | 120.2 |
C22—C21—C20 | 119.9 (2) | C24—C25—H25 | 120.7 |
C22—C21—N3 | 114.8 (2) | C26—C25—H25 | 120.7 |
C20—C21—N3 | 125.2 (2) | C27—C26—H26 | 119.6 |
C23—C22—C21 | 119.5 (2) | C25—C26—H26 | 119.6 |
C22—C23—C18 | 120.2 (2) | C26—C27—H27 | 119.6 |
C22—C23—C30 | 129.2 (2) | C28—C27—H27 | 119.6 |
C18—C23—C30 | 110.6 (2) | C29—C28—H28 | 120.4 |
C25—C24—C29 | 120.3 (2) | C27—C28—H28 | 120.4 |
C25—C24—C18 | 131.1 (2) | C23—C30—H30a | 111.2 |
C29—C24—C18 | 108.6 (2) | C29—C30—H30a | 111.2 |
C24—C25—C26 | 118.6 (2) | C23—C30—H30b | 111.2 |
C27—C26—C25 | 120.7 (2) | C29—C30—H30b | 111.2 |
C26—C27—C28 | 120.7 (2) | H30a—C30—H30b | 109.1 |
C29—C28—C27 | 119.2 (2) | ||
C7—N1—N2—C9 | −1.1 (2) | C12—C13—C14—C15 | 0.5 (3) |
C1—N1—N2—C9 | −168.0 (2) | C13—C14—C15—C16 | −0.3 (3) |
C7—N1—C1—C6 | −150.1 (2) | C14—C15—C16—C17 | −0.2 (3) |
N2—N1—C1—C6 | 14.5 (2) | C15—C16—C17—C12 | 0.4 (3) |
C7—N1—C1—C2 | 29.0 (3) | C13—C12—C17—C16 | −0.2 (3) |
N2—N1—C1—C2 | −166.5 (2) | C11—C12—C17—C16 | 178.4 (2) |
C6—C1—C2—C3 | 1.7 (3) | C23—C18—C19—C20 | 0.8 (3) |
N1—C1—C2—C3 | −177.4 (2) | C24—C18—C19—C20 | −179.3 (2) |
C1—C2—C3—C4 | −0.5 (3) | C18—C19—C20—C21 | −0.4 (3) |
C2—C3—C4—C5 | −0.5 (3) | C19—C20—C21—C22 | 0.0 (3) |
C3—C4—C5—C6 | 0.4 (3) | C19—C20—C21—N3 | 175.5 (2) |
C4—C5—C6—C1 | 0.7 (3) | C11—N3—C21—C22 | −164.2 (2) |
C2—C1—C6—C5 | −1.7 (3) | C11—N3—C21—C20 | 20.1 (3) |
N1—C1—C6—C5 | 177.3 (2) | C20—C21—C22—C23 | 0.0 (3) |
N2—N1—C7—O1 | −179.1 (2) | N3—C21—C22—C23 | −175.9 (2) |
C1—N1—C7—O1 | −13.7 (3) | C21—C22—C23—C18 | 0.3 (3) |
N2—N1—C7—C8 | 0.9 (2) | C21—C22—C23—C30 | −178.1 (2) |
C1—N1—C7—C8 | 166.3 (2) | C19—C18—C23—C22 | −0.7 (3) |
O1—C7—C8—C11 | 1.0 (3) | C24—C18—C23—C22 | 179.3 (2) |
N1—C7—C8—C11 | −179.0 (2) | C19—C18—C23—C30 | 178.0 (2) |
O1—C7—C8—C9 | 179.6 (2) | C24—C18—C23—C30 | −2.0 (2) |
N1—C7—C8—C9 | −0.4 (2) | C19—C18—C24—C25 | 4.2 (3) |
N1—N2—C9—C8 | 0.8 (2) | C23—C18—C24—C25 | −175.8 (2) |
N1—N2—C9—C10 | 180.0 (2) | C19—C18—C24—C29 | −178.1 (2) |
C11—C8—C9—N2 | 178.2 (2) | C23—C18—C24—C29 | 1.9 (2) |
C7—C8—C9—N2 | −0.3 (2) | C29—C24—C25—C26 | 0.5 (3) |
C11—C8—C9—C10 | −0.9 (3) | C18—C24—C25—C26 | 177.9 (2) |
C7—C8—C9—C10 | −179.4 (2) | C24—C25—C26—C27 | 0.7 (3) |
C21—N3—C11—C8 | −173.2 (2) | C25—C26—C27—C28 | −0.9 (3) |
C21—N3—C11—C12 | 8.1 (3) | C26—C27—C28—C29 | 0.0 (3) |
C9—C8—C11—N3 | −175.7 (2) | C27—C28—C29—C24 | 1.2 (3) |
C7—C8—C11—N3 | 2.6 (3) | C27—C28—C29—C30 | −176.8 (2) |
C9—C8—C11—C12 | 3.0 (3) | C25—C24—C29—C28 | −1.4 (3) |
C7—C8—C11—C12 | −178.8 (2) | C18—C24—C29—C28 | −179.4 (2) |
N3—C11—C12—C17 | 68.8 (2) | C25—C24—C29—C30 | 176.9 (2) |
C8—C11—C12—C17 | −109.9 (2) | C18—C24—C29—C30 | −1.0 (2) |
N3—C11—C12—C13 | −112.7 (2) | C22—C23—C30—C29 | 179.9 (2) |
C8—C11—C12—C13 | 68.6 (2) | C18—C23—C30—C29 | 1.4 (2) |
C17—C12—C13—C14 | −0.3 (3) | C28—C29—C30—C23 | 178.0 (2) |
C11—C12—C13—C14 | −178.8 (2) | C24—C29—C30—C23 | −0.1 (2) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N3—H3n···O1 | 0.97 (2) | 1.80 (2) | 2.671 (2) | 147 (2) |
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