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In the title mol­ecule, C34H35N5O2, all bond lengths and angles are within normal ranges. The crystal packing is stabilized by weak inter­molecular C—H...O hydrogen bonds and π–π inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807011804/cv2208sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807011804/cv2208Isup2.hkl
Contains datablock I

CCDC reference: 642960

Key indicators

  • Single-crystal X-ray study
  • T = 292 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.056
  • wR factor = 0.164
  • Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 200 Deg. PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 - C6 .. 5.28 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C33 - C34 .. 6.34 su PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C1 -C6 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT413_ALERT_2_C Short Inter XH3 .. XHn H28 .. H34B .. 2.14 Ang. PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... O2A H25 O2A PLAT717_ALERT_1_C D...A Unknown or Inconsistent Label .......... O2A C25 O2A PLAT718_ALERT_1_C D-H..A Unknown or Inconsistent Label .......... O2A C25 H25 O2A
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

2-Dipropylamino-6-methyl-5-(4-methylphenyl)-3,8-diphenyl-5,8- dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-4(3H)-one top
Crystal data top
C34H35N5O2Z = 2
Mr = 545.67F(000) = 580
Triclinic, P1Dx = 1.231 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.9705 (8) ÅCell parameters from 1636 reflections
b = 13.5961 (12) Åθ = 3.2–24.5°
c = 14.3869 (12) ŵ = 0.08 mm1
α = 111.213 (2)°T = 292 K
β = 98.877 (2)°Block, colourless
γ = 108.884 (2)°0.30 × 0.20 × 0.20 mm
V = 1472.6 (3) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
5128 independent reflections
Radiation source: fine-focus sealed tube2947 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.033
φ and ω scansθmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 1010
Tmin = 0.977, Tmax = 0.985k = 1516
8509 measured reflectionsl = 1712
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)] = 0.056Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.164H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0723P)2]
where P = (Fo2 + 2Fc2)/3
5128 reflections(Δ/σ)max < 0.001
374 parametersΔρmax = 0.15 e Å3
0 restraintsΔρmin = 0.19 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
C10.2253 (4)0.9232 (3)0.2588 (2)0.0662 (8)
H10.29460.91130.30470.079*
C20.1999 (4)0.8703 (3)0.1541 (2)0.0823 (10)
H20.25360.82280.12900.099*
C30.0973 (4)0.8851 (3)0.0846 (2)0.0837 (10)
H30.08100.84810.01310.100*
C40.0203 (4)0.9539 (3)0.1213 (3)0.0800 (10)
H40.04960.96430.07450.096*
C50.0429 (4)1.0094 (3)0.2272 (2)0.0703 (8)
H50.01191.05630.25150.084*
C60.1478 (3)0.9944 (2)0.2963 (2)0.0567 (7)
C70.1197 (4)1.2723 (3)0.6082 (2)0.0844 (10)
H7A0.22061.34100.64640.127*
H7B0.06941.25180.65660.127*
H7C0.04521.28620.56430.127*
C80.1570 (3)1.1760 (2)0.5423 (2)0.0584 (7)
C90.2313 (3)1.1129 (2)0.5752 (2)0.0527 (7)
C100.2369 (3)1.0382 (2)0.4875 (2)0.0499 (7)
C110.3336 (3)0.9413 (2)0.5652 (2)0.0491 (6)
C120.3312 (3)1.0118 (2)0.65795 (19)0.0462 (6)
C130.2892 (3)1.1153 (2)0.67953 (19)0.0516 (7)
H130.19631.10410.70840.062*
C140.4327 (4)1.2271 (2)0.7584 (2)0.0552 (7)
C150.4240 (4)1.2851 (3)0.8570 (2)0.0681 (8)
H150.32941.25490.87430.082*
C160.5525 (5)1.3864 (3)0.9297 (2)0.0771 (10)
H160.54311.42280.99570.093*
C170.6951 (5)1.4359 (3)0.9085 (3)0.0742 (9)
C180.7041 (4)1.3779 (3)0.8112 (3)0.0730 (9)
H180.79891.40810.79400.088*
C190.5751 (4)1.2748 (2)0.7375 (2)0.0617 (8)
H190.58581.23730.67220.074*
C200.8320 (5)1.5499 (3)0.9875 (3)0.1051 (13)
H20A0.92131.56960.95920.158*
H20B0.87121.54371.05030.158*
H20C0.79081.60901.00360.158*
C210.3526 (3)0.9781 (2)0.7403 (2)0.0490 (6)
C220.4085 (3)0.8254 (2)0.62213 (19)0.0481 (6)
C230.3473 (3)0.8202 (2)0.78193 (19)0.0497 (7)
C240.4497 (4)0.8615 (2)0.8807 (2)0.0619 (8)
H240.54760.92800.90790.074*
C250.4042 (5)0.8019 (3)0.9397 (2)0.0764 (9)
H250.47290.82831.00690.092*
C260.2594 (5)0.7049 (3)0.8998 (3)0.0805 (10)
H260.23080.66510.93960.097*
C270.1576 (4)0.6666 (3)0.8027 (3)0.0812 (10)
H270.05840.60120.77610.097*
C280.2009 (4)0.7244 (2)0.7433 (2)0.0661 (8)
H280.13050.69840.67670.079*
C290.5913 (3)0.7502 (2)0.6910 (2)0.0601 (7)
H29A0.61790.82020.75360.072*
H29B0.68940.75930.66850.072*
C300.5500 (4)0.6491 (2)0.7187 (2)0.0733 (9)
H30A0.45190.63890.74130.088*
H30B0.52640.57870.65720.088*
C310.6929 (5)0.6701 (3)0.8051 (3)0.1115 (14)
H31A0.79140.68470.78430.167*
H31B0.66810.60310.81820.167*
H31C0.70990.73590.86780.167*
C320.4459 (4)0.6668 (2)0.5019 (2)0.0634 (8)
H32A0.51660.62610.50380.076*
H32B0.48630.71630.46870.076*
C330.2740 (4)0.5807 (3)0.4374 (2)0.0853 (10)
H33A0.27250.54170.36570.102*
H33B0.20290.62140.43740.102*
C340.2049 (5)0.4916 (3)0.4756 (3)0.1092 (13)
H34A0.26540.44380.46680.164*
H34B0.09030.44430.43590.164*
H34C0.21490.52960.54840.164*
N10.1719 (3)1.05304 (19)0.40463 (17)0.0555 (6)
N20.1234 (3)1.1412 (2)0.4399 (2)0.0647 (7)
N30.3796 (3)0.85344 (17)0.54570 (15)0.0499 (5)
N40.3846 (2)0.87842 (17)0.71643 (15)0.0466 (5)
N50.4585 (3)0.73848 (17)0.60854 (15)0.0517 (6)
O10.2925 (2)0.95372 (14)0.47477 (13)0.0560 (5)
O20.3373 (2)1.02535 (16)0.82603 (14)0.0596 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.064 (2)0.085 (2)0.059 (2)0.0361 (18)0.0170 (15)0.0385 (17)
C20.087 (3)0.101 (3)0.060 (2)0.043 (2)0.0169 (18)0.0366 (19)
C30.084 (3)0.102 (3)0.058 (2)0.032 (2)0.0148 (19)0.037 (2)
C40.066 (2)0.108 (3)0.066 (2)0.028 (2)0.0069 (17)0.051 (2)
C50.059 (2)0.087 (2)0.074 (2)0.0262 (17)0.0138 (16)0.0506 (19)
C60.0464 (17)0.0666 (18)0.0553 (18)0.0114 (14)0.0071 (14)0.0387 (15)
C70.101 (3)0.081 (2)0.093 (2)0.057 (2)0.029 (2)0.045 (2)
C80.0536 (18)0.0610 (18)0.073 (2)0.0280 (15)0.0215 (15)0.0385 (16)
C90.0543 (17)0.0543 (16)0.0596 (18)0.0253 (13)0.0165 (13)0.0333 (15)
C100.0484 (17)0.0548 (16)0.0577 (17)0.0247 (13)0.0178 (13)0.0331 (15)
C110.0478 (16)0.0536 (16)0.0477 (16)0.0194 (13)0.0103 (12)0.0272 (14)
C120.0473 (16)0.0467 (15)0.0478 (16)0.0214 (12)0.0148 (12)0.0223 (13)
C130.0519 (17)0.0555 (16)0.0576 (17)0.0275 (14)0.0201 (13)0.0296 (14)
C140.069 (2)0.0498 (16)0.0583 (18)0.0329 (15)0.0197 (15)0.0282 (14)
C150.091 (2)0.0594 (19)0.066 (2)0.0423 (18)0.0350 (18)0.0267 (17)
C160.110 (3)0.0554 (19)0.064 (2)0.045 (2)0.021 (2)0.0174 (17)
C170.093 (3)0.0510 (18)0.068 (2)0.0329 (18)0.0001 (19)0.0231 (17)
C180.065 (2)0.073 (2)0.081 (2)0.0228 (17)0.0109 (18)0.0432 (19)
C190.065 (2)0.0625 (18)0.0556 (17)0.0241 (16)0.0150 (15)0.0274 (15)
C200.114 (3)0.065 (2)0.098 (3)0.030 (2)0.012 (2)0.020 (2)
C210.0498 (17)0.0488 (15)0.0479 (16)0.0201 (13)0.0118 (13)0.0222 (13)
C220.0500 (16)0.0443 (15)0.0454 (16)0.0151 (13)0.0103 (12)0.0207 (13)
C230.0589 (18)0.0494 (15)0.0454 (15)0.0229 (14)0.0144 (13)0.0256 (13)
C240.076 (2)0.0535 (16)0.0487 (17)0.0237 (15)0.0083 (15)0.0215 (14)
C250.104 (3)0.084 (2)0.0515 (18)0.047 (2)0.0188 (18)0.0356 (18)
C260.107 (3)0.082 (2)0.073 (2)0.039 (2)0.037 (2)0.051 (2)
C270.076 (2)0.080 (2)0.086 (2)0.0143 (18)0.0260 (19)0.050 (2)
C280.062 (2)0.0680 (19)0.0612 (18)0.0143 (16)0.0112 (15)0.0349 (16)
C290.0600 (19)0.0612 (17)0.0627 (18)0.0283 (15)0.0124 (14)0.0310 (15)
C300.092 (2)0.072 (2)0.073 (2)0.0461 (18)0.0226 (17)0.0405 (17)
C310.135 (3)0.124 (3)0.093 (3)0.079 (3)0.006 (2)0.056 (2)
C320.081 (2)0.0657 (18)0.0552 (18)0.0438 (17)0.0239 (16)0.0251 (15)
C330.101 (3)0.073 (2)0.067 (2)0.044 (2)0.0088 (19)0.0147 (18)
C340.090 (3)0.076 (2)0.113 (3)0.019 (2)0.006 (2)0.015 (2)
N10.0535 (14)0.0668 (15)0.0609 (15)0.0301 (12)0.0170 (11)0.0389 (13)
N20.0689 (17)0.0706 (16)0.0730 (17)0.0382 (14)0.0218 (13)0.0424 (14)
N30.0591 (14)0.0526 (13)0.0486 (13)0.0296 (11)0.0178 (10)0.0272 (11)
N40.0527 (14)0.0474 (12)0.0456 (13)0.0224 (10)0.0164 (10)0.0245 (10)
N50.0630 (15)0.0494 (13)0.0497 (13)0.0294 (11)0.0158 (11)0.0243 (11)
O10.0689 (13)0.0619 (11)0.0500 (11)0.0341 (10)0.0176 (9)0.0319 (9)
O20.0732 (13)0.0655 (12)0.0500 (11)0.0374 (10)0.0227 (10)0.0264 (10)
Geometric parameters (Å, º) top
C1—C21.357 (4)C20—H20B0.9600
C1—C61.374 (4)C20—H20C0.9600
C1—H10.9300C21—O21.221 (3)
C2—C31.366 (4)C21—N41.408 (3)
C2—H20.9300C22—N31.304 (3)
C3—C41.343 (4)C22—N51.356 (3)
C3—H30.9300C22—N41.374 (3)
C4—C51.380 (4)C23—C241.366 (4)
C4—H40.9300C23—C281.369 (4)
C5—C61.377 (4)C23—N41.447 (3)
C5—H50.9300C24—C251.390 (4)
C6—N11.413 (4)C24—H240.9300
C7—C81.486 (4)C25—C261.368 (4)
C7—H7A0.9600C25—H250.9300
C7—H7B0.9600C26—C271.352 (4)
C7—H7C0.9600C26—H260.9300
C8—N21.324 (4)C27—C281.374 (4)
C8—C91.404 (4)C27—H270.9300
C9—C101.324 (3)C28—H280.9300
C9—C131.495 (4)C29—N51.469 (3)
C10—N11.355 (3)C29—C301.516 (4)
C10—O11.359 (3)C29—H29A0.9700
C11—N31.337 (3)C29—H29B0.9700
C11—C121.341 (3)C30—C311.512 (4)
C11—O11.381 (3)C30—H30A0.9700
C12—C211.424 (3)C30—H30B0.9700
C12—C131.510 (4)C31—H31A0.9600
C13—C141.513 (4)C31—H31B0.9600
C13—H130.9800C31—H31C0.9600
C14—C191.366 (4)C32—N51.453 (3)
C14—C151.380 (4)C32—C331.488 (4)
C15—C161.370 (4)C32—H32A0.9700
C15—H150.9300C32—H32B0.9700
C16—C171.377 (5)C33—C341.502 (5)
C16—H160.9300C33—H33A0.9700
C17—C181.366 (4)C33—H33B0.9700
C17—C201.505 (4)C34—H34A0.9600
C18—C191.387 (4)C34—H34B0.9600
C18—H180.9300C34—H34C0.9600
C19—H190.9300N1—N21.360 (3)
C20—H20A0.9600
C2—C1—C6119.4 (3)N4—C21—C12116.0 (2)
C2—C1—H1120.3N3—C22—N5119.9 (2)
C6—C1—H1120.3N3—C22—N4122.2 (2)
C1—C2—C3121.6 (3)N5—C22—N4117.8 (2)
C1—C2—H2119.2C24—C23—C28120.7 (3)
C3—C2—H2119.2C24—C23—N4121.7 (2)
C4—C3—C2118.9 (3)C28—C23—N4117.6 (2)
C4—C3—H3120.5C23—C24—C25118.4 (3)
C2—C3—H3120.5C23—C24—H24120.8
C3—C4—C5121.4 (3)C25—C24—H24120.8
C3—C4—H4119.3C26—C25—C24120.6 (3)
C5—C4—H4119.3C26—C25—H25119.7
C6—C5—C4119.0 (3)C24—C25—H25119.7
C6—C5—H5120.5C27—C26—C25120.2 (3)
C4—C5—H5120.5C27—C26—H26119.9
C1—C6—C5119.7 (3)C25—C26—H26119.9
C1—C6—N1121.7 (2)C26—C27—C28119.9 (3)
C5—C6—N1118.6 (3)C26—C27—H27120.0
C8—C7—H7A109.5C28—C27—H27120.0
C8—C7—H7B109.5C23—C28—C27120.2 (3)
H7A—C7—H7B109.5C23—C28—H28119.9
C8—C7—H7C109.5C27—C28—H28119.9
H7A—C7—H7C109.5N5—C29—C30114.5 (2)
H7B—C7—H7C109.5N5—C29—H29A108.6
N2—C8—C9111.4 (2)C30—C29—H29A108.6
N2—C8—C7120.9 (2)N5—C29—H29B108.6
C9—C8—C7127.7 (3)C30—C29—H29B108.6
C10—C9—C8103.9 (2)H29A—C29—H29B107.6
C10—C9—C13122.9 (2)C31—C30—C29110.5 (3)
C8—C9—C13133.1 (3)C31—C30—H30A109.6
C9—C10—N1110.4 (2)C29—C30—H30A109.6
C9—C10—O1128.1 (2)C31—C30—H30B109.6
N1—C10—O1121.4 (2)C29—C30—H30B109.6
N3—C11—C12126.9 (2)H30A—C30—H30B108.1
N3—C11—O1110.1 (2)C30—C31—H31A109.5
C12—C11—O1123.0 (2)C30—C31—H31B109.5
C11—C12—C21116.4 (2)H31A—C31—H31B109.5
C11—C12—C13126.0 (2)C30—C31—H31C109.5
C21—C12—C13117.2 (2)H31A—C31—H31C109.5
C9—C13—C12106.0 (2)H31B—C31—H31C109.5
C9—C13—C14114.1 (2)N5—C32—C33113.1 (3)
C12—C13—C14112.2 (2)N5—C32—H32A109.0
C9—C13—H13108.1C33—C32—H32A109.0
C12—C13—H13108.1N5—C32—H32B109.0
C14—C13—H13108.1C33—C32—H32B109.0
C19—C14—C15117.0 (3)H32A—C32—H32B107.8
C19—C14—C13123.0 (3)C32—C33—C34113.6 (3)
C15—C14—C13120.0 (3)C32—C33—H33A108.8
C16—C15—C14121.1 (3)C34—C33—H33A108.8
C16—C15—H15119.5C32—C33—H33B108.8
C14—C15—H15119.5C34—C33—H33B108.8
C15—C16—C17122.2 (3)H33A—C33—H33B107.7
C15—C16—H16118.9C33—C34—H34A109.5
C17—C16—H16118.9C33—C34—H34B109.5
C18—C17—C16116.6 (3)H34A—C34—H34B109.5
C18—C17—C20121.8 (4)C33—C34—H34C109.5
C16—C17—C20121.6 (3)H34A—C34—H34C109.5
C17—C18—C19121.5 (3)H34B—C34—H34C109.5
C17—C18—H18119.3C10—N1—N2108.7 (2)
C19—C18—H18119.3C10—N1—C6131.8 (2)
C14—C19—C18121.6 (3)N2—N1—C6119.4 (2)
C14—C19—H19119.2C8—N2—N1105.5 (2)
C18—C19—H19119.2C22—N3—C11116.7 (2)
C17—C20—H20A109.5C22—N4—C21120.5 (2)
C17—C20—H20B109.5C22—N4—C23121.8 (2)
H20A—C20—H20B109.5C21—N4—C23115.8 (2)
C17—C20—H20C109.5C22—N5—C32116.5 (2)
H20A—C20—H20C109.5C22—N5—C29120.8 (2)
H20B—C20—H20C109.5C32—N5—C29115.5 (2)
O2—C21—N4118.9 (2)C10—O1—C11113.4 (2)
O2—C21—C12125.0 (2)
C6—C1—C2—C30.8 (5)C23—C24—C25—C260.6 (4)
C1—C2—C3—C40.1 (5)C24—C25—C26—C270.8 (5)
C2—C3—C4—C50.0 (5)C25—C26—C27—C280.9 (5)
C3—C4—C5—C60.6 (5)C24—C23—C28—C271.9 (4)
C2—C1—C6—C51.3 (4)N4—C23—C28—C27179.0 (3)
C2—C1—C6—N1179.0 (3)C26—C27—C28—C230.4 (5)
C4—C5—C6—C11.2 (4)N5—C29—C30—C31179.1 (3)
C4—C5—C6—N1179.1 (3)N5—C32—C33—C3464.5 (4)
N2—C8—C9—C101.2 (3)C9—C10—N1—N20.4 (3)
C7—C8—C9—C10179.8 (3)O1—C10—N1—N2178.6 (2)
N2—C8—C9—C13178.4 (3)C9—C10—N1—C6178.8 (3)
C7—C8—C9—C132.9 (5)O1—C10—N1—C60.7 (4)
C8—C9—C10—N10.4 (3)C1—C6—N1—C1015.3 (4)
C13—C9—C10—N1178.0 (2)C5—C6—N1—C10164.4 (3)
C8—C9—C10—O1177.5 (2)C1—C6—N1—N2165.5 (2)
C13—C9—C10—O10.1 (4)C5—C6—N1—N214.8 (4)
N3—C11—C12—C2111.5 (4)C9—C8—N2—N11.4 (3)
O1—C11—C12—C21171.0 (2)C7—C8—N2—N1179.8 (2)
N3—C11—C12—C13175.8 (2)C10—N1—N2—C81.1 (3)
O1—C11—C12—C131.7 (4)C6—N1—N2—C8178.2 (2)
C10—C9—C13—C126.1 (3)N5—C22—N3—C11178.8 (2)
C8—C9—C13—C12170.8 (3)N4—C22—N3—C113.5 (4)
C10—C9—C13—C14117.8 (3)C12—C11—N3—C227.8 (4)
C8—C9—C13—C1465.4 (4)O1—C11—N3—C22174.4 (2)
C11—C12—C13—C96.9 (3)N3—C22—N4—C2110.1 (4)
C21—C12—C13—C9165.7 (2)N5—C22—N4—C21172.2 (2)
C11—C12—C13—C14118.1 (3)N3—C22—N4—C23153.1 (2)
C21—C12—C13—C1469.2 (3)N5—C22—N4—C2324.5 (3)
C9—C13—C14—C1952.0 (3)O2—C21—N4—C22177.6 (2)
C12—C13—C14—C1968.5 (3)C12—C21—N4—C225.9 (3)
C9—C13—C14—C15128.8 (3)O2—C21—N4—C2318.1 (3)
C12—C13—C14—C15110.8 (3)C12—C21—N4—C23158.4 (2)
C19—C14—C15—C160.6 (4)C24—C23—N4—C22118.6 (3)
C13—C14—C15—C16179.9 (2)C28—C23—N4—C2264.4 (3)
C14—C15—C16—C170.6 (4)C24—C23—N4—C2177.4 (3)
C15—C16—C17—C181.2 (4)C28—C23—N4—C2199.6 (3)
C15—C16—C17—C20177.2 (3)N3—C22—N5—C3211.5 (3)
C16—C17—C18—C190.7 (4)N4—C22—N5—C32166.2 (2)
C20—C17—C18—C19177.8 (3)N3—C22—N5—C29137.3 (3)
C15—C14—C19—C181.1 (4)N4—C22—N5—C2944.9 (3)
C13—C14—C19—C18179.6 (2)C33—C32—N5—C2277.4 (3)
C17—C18—C19—C140.5 (4)C33—C32—N5—C29132.1 (3)
C11—C12—C21—O2172.3 (3)C30—C29—N5—C22130.2 (3)
C13—C12—C21—O21.1 (4)C30—C29—N5—C3280.7 (3)
C11—C12—C21—N44.0 (3)C9—C10—O1—C116.0 (4)
C13—C12—C21—N4177.3 (2)N1—C10—O1—C11171.8 (2)
C28—C23—C24—C252.0 (4)N3—C11—O1—C10177.1 (2)
N4—C23—C24—C25178.9 (2)C12—C11—O1—C105.0 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C25—H25···O2Ai0.932.393.253 (7)154
Symmetry code: (i) x+1, y, z.
 

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