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In the title compound, [Cu(C12H13O2)2(C6H6N2O)], a nicotin­amide adduct of bis­(3-benzyl­pentane-2,4-dionato)copper(II), the metal ion exhibits a square-pyramidal coordination environment. The mol­ecules of the complex self-assemble in the solid state by way of amide-to-amide hydrogen bonds to form one-dimensional polymers.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806000286/ci6739sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806000286/ci6739Isup2.hkl
Contains datablock I

CCDC reference: 298393

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.052
  • wR factor = 0.151
  • Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found



Alert level B RINTA01_ALERT_3_B The value of Rint is greater than 0.15 Rint given 0.180 PLAT020_ALERT_3_B The value of Rint is greater than 0.10 ......... 0.18
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 47 Perc. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.36 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.11 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O22 - C24 .. 6.62 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C211 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C27 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT353_ALERT_3_C Long N-H Bond (0.87A) N32 - H1N ... 1.06 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H210 .. O31 .. 2.67 Ang.
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 9 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 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 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: STADI4 (Stoe & Cie, 1995); cell refinement: STADI4; data reduction: X-RED (Stoe & Cie, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997), Mercury (Version 1.2.1; Bruno et al., 2002), RasTop (Valadon, 2004) and POV-RAY (Persistence of Vision, 2004); software used to prepare material for publication: WinGX (Farrugia, 1999).

bis(3-benzylpentane-2,4-dionato)(nicotinamide)copper(II) top
Crystal data top
[Cu(C12H13O2)2(C6H6N2O)]F(000) = 1180
Mr = 564.13Dx = 1.336 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 34 reflections
a = 12.3775 (18) Åθ = 10.1–16.4°
b = 22.5695 (19) ŵ = 0.82 mm1
c = 10.0534 (12) ÅT = 298 K
β = 93.018 (8)°Plate, green
V = 2804.6 (6) Å30.58 × 0.37 × 0.07 mm
Z = 4
Data collection top
Philips PW1100
diffractometer
2868 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.180
Graphite monochromatorθmax = 27.0°, θmin = 2.2°
ω scansh = 015
Absorption correction: ψ scan
(North et al., 1968)
k = 280
Tmin = 0.688, Tmax = 0.946l = 1212
6404 measured reflections3 standard reflections every 120 min
6128 independent reflections intensity decay: 3.8%
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.052 w = 1/[σ2(Fo2) + (0.0738P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.151(Δ/σ)max < 0.001
S = 0.97Δρmax = 0.27 e Å3
6128 reflectionsΔρmin = 0.55 e Å3
343 parameters
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. All non-hydrogen atoms were included in the refinement according to the anisotropic model. Coordinates of hydrogen atoms bonded to carbon atoms were calculated following the stereochemical rules with C—H distances of 0.93 for phenyl, 0.97 Å for methylene and 0.96 Å for methyl groups. The hydrogen atoms were included in the refinement using the riding-model approximation. Uiso(H) were defined as 1.2Ueq of the parent carbon atoms for phenyl and methylene residues and 1.5Ueq of the parent carbon atoms for the methyl groups. The hydrogen atoms of the amide group have been located from the final Fourier difference map, their coordinates were blocked during the refinement process and the isotropic thermal parameter was set at 1.5 times the average thermal parameter of the belonging nitrogen atom.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu0.03227 (4)0.06902 (2)0.19038 (5)0.03985 (17)
O110.0047 (2)0.01282 (11)0.2116 (3)0.0447 (7)
O120.0857 (2)0.08018 (11)0.0595 (3)0.0438 (7)
O210.1622 (2)0.05555 (12)0.3022 (3)0.0506 (7)
O220.0850 (2)0.14623 (11)0.1426 (3)0.0437 (7)
O310.1143 (3)0.25055 (13)0.6878 (3)0.0563 (8)
N310.0629 (3)0.10008 (15)0.3732 (3)0.0472 (9)
N320.0985 (3)0.28264 (13)0.4780 (3)0.0466 (9)
C110.0943 (4)0.10362 (17)0.2070 (5)0.0587 (12)
H11A0.03010.11380.25980.088*
H11B0.10060.12880.130.088*
H11C0.15650.10890.2590.088*
C120.0877 (3)0.03950 (17)0.1631 (4)0.0420 (10)
C130.1676 (3)0.01525 (17)0.0759 (4)0.0421 (10)
C140.1609 (3)0.04327 (18)0.0278 (4)0.0403 (9)
C150.2444 (4)0.06743 (19)0.0741 (5)0.0615 (12)
H15A0.22480.1070.09840.092*
H15B0.31420.06790.03670.092*
H15C0.2470.04270.15190.092*
C160.2632 (3)0.05423 (18)0.0304 (4)0.0489 (11)
H16A0.29480.03830.05240.059*
H16B0.23620.09350.01180.059*
C170.3519 (3)0.0600 (2)0.1281 (4)0.0512 (11)
C180.4003 (4)0.1139 (2)0.1522 (5)0.0697 (15)
H180.37660.14770.10960.084*
C190.4836 (5)0.1185 (3)0.2384 (6)0.094 (2)
H190.51540.15520.25220.112*
C1100.5189 (4)0.0703 (4)0.3028 (6)0.096 (2)
H1100.57470.07380.36060.115*
C1110.4724 (5)0.0163 (3)0.2827 (6)0.0896 (19)
H1110.49620.0170.3270.108*
C1120.3896 (4)0.0117 (2)0.1959 (5)0.0679 (14)
H1120.35830.02510.18290.081*
C210.3043 (4)0.0732 (2)0.4596 (5)0.0694 (14)
H21A0.27650.08160.54490.104*
H21B0.37250.0930.45250.104*
H21C0.31430.03130.45050.104*
C220.2254 (3)0.09497 (19)0.3510 (4)0.0463 (10)
C230.2292 (3)0.15466 (18)0.3095 (4)0.0454 (10)
C240.1604 (3)0.17523 (17)0.2038 (4)0.0459 (10)
C250.1720 (4)0.23775 (19)0.1506 (6)0.0726 (15)
H25A0.1350.24070.06450.109*
H25B0.24730.24670.1430.109*
H25C0.14120.26530.21060.109*
C260.3123 (4)0.1958 (2)0.3765 (5)0.0610 (13)
H26A0.28670.23620.36460.073*
H26B0.31540.18760.47140.073*
C270.4257 (4)0.19249 (19)0.3294 (5)0.0557 (12)
C280.4513 (4)0.1632 (2)0.2142 (6)0.0713 (15)
H280.39680.1440.16360.086*
C290.5565 (4)0.1619 (3)0.1724 (7)0.095 (2)
H290.57110.14330.09280.113*
C2100.6376 (5)0.1876 (3)0.2467 (9)0.114 (3)
H2100.70870.18440.2220.136*
C2110.6138 (5)0.2181 (3)0.3581 (10)0.122 (3)
H2110.66840.23850.40580.146*
C2120.5086 (5)0.2193 (2)0.4020 (7)0.093 (2)
H2120.49470.23840.48130.112*
C310.0650 (3)0.15736 (16)0.4110 (4)0.0388 (9)
H310.02990.1850.360.047*
C320.1158 (3)0.17711 (16)0.5205 (4)0.0364 (9)
C330.1688 (4)0.13585 (19)0.5957 (4)0.0561 (12)
H330.20480.14770.67010.067*
C340.1673 (4)0.07737 (18)0.5588 (5)0.0667 (14)
H340.20210.04880.60780.08*
C350.1138 (4)0.06183 (18)0.4488 (4)0.0543 (11)
H350.11280.0220.42520.065*
C360.1099 (3)0.24020 (17)0.5687 (4)0.0386 (9)
H1N0.10360.2720.37490.069*
H2N0.06420.32240.49350.069*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu0.0375 (3)0.0319 (2)0.0503 (3)0.0019 (2)0.0032 (2)0.0003 (2)
O110.0453 (17)0.0330 (14)0.0551 (18)0.0025 (13)0.0033 (14)0.0019 (13)
O120.0445 (16)0.0392 (16)0.0478 (16)0.0011 (12)0.0013 (13)0.0011 (12)
O210.0404 (16)0.0425 (17)0.068 (2)0.0038 (13)0.0087 (14)0.0072 (14)
O220.0365 (15)0.0361 (14)0.0585 (18)0.0063 (13)0.0024 (13)0.0042 (13)
O310.081 (2)0.0550 (19)0.0341 (17)0.0036 (16)0.0127 (15)0.0067 (14)
N310.057 (2)0.0389 (19)0.047 (2)0.0037 (17)0.0134 (17)0.0010 (17)
N320.065 (2)0.0344 (18)0.040 (2)0.0083 (17)0.0023 (17)0.0012 (15)
C110.056 (3)0.034 (2)0.085 (3)0.005 (2)0.003 (2)0.005 (2)
C120.043 (3)0.037 (2)0.047 (2)0.0002 (19)0.009 (2)0.0092 (19)
C130.041 (2)0.042 (2)0.043 (2)0.0025 (19)0.0091 (19)0.0065 (19)
C140.038 (2)0.046 (2)0.038 (2)0.0022 (19)0.0035 (18)0.0047 (18)
C150.061 (3)0.059 (3)0.063 (3)0.007 (2)0.012 (2)0.005 (2)
C160.051 (3)0.048 (2)0.048 (3)0.012 (2)0.005 (2)0.008 (2)
C170.037 (2)0.062 (3)0.054 (3)0.004 (2)0.0043 (19)0.001 (2)
C180.061 (3)0.077 (4)0.071 (4)0.025 (3)0.002 (3)0.002 (3)
C190.075 (4)0.128 (6)0.077 (4)0.049 (4)0.001 (3)0.016 (4)
C1100.043 (3)0.175 (8)0.071 (4)0.010 (4)0.008 (3)0.019 (5)
C1110.062 (4)0.126 (5)0.082 (4)0.028 (4)0.024 (3)0.002 (4)
C1120.058 (3)0.070 (3)0.077 (4)0.009 (3)0.016 (3)0.007 (3)
C210.060 (3)0.072 (3)0.074 (3)0.007 (3)0.011 (3)0.008 (3)
C220.037 (2)0.050 (2)0.053 (3)0.001 (2)0.010 (2)0.004 (2)
C230.032 (2)0.045 (2)0.060 (3)0.0053 (19)0.013 (2)0.010 (2)
C240.039 (2)0.038 (2)0.064 (3)0.0005 (19)0.025 (2)0.002 (2)
C250.062 (3)0.050 (3)0.105 (4)0.016 (2)0.003 (3)0.015 (3)
C260.063 (3)0.052 (3)0.068 (3)0.011 (2)0.006 (3)0.017 (2)
C270.043 (3)0.042 (2)0.081 (3)0.009 (2)0.004 (2)0.002 (2)
C280.036 (3)0.083 (4)0.095 (4)0.011 (3)0.007 (3)0.005 (3)
C290.043 (3)0.124 (6)0.118 (5)0.010 (3)0.017 (3)0.024 (4)
C2100.037 (4)0.124 (7)0.181 (8)0.002 (4)0.016 (5)0.054 (6)
C2110.041 (4)0.118 (6)0.202 (9)0.024 (4)0.034 (5)0.011 (6)
C2120.065 (4)0.080 (4)0.131 (5)0.010 (3)0.031 (4)0.009 (4)
C310.042 (2)0.037 (2)0.038 (2)0.0016 (18)0.0068 (18)0.0064 (17)
C320.041 (2)0.036 (2)0.032 (2)0.0013 (17)0.0026 (17)0.0020 (17)
C330.075 (3)0.052 (3)0.044 (3)0.008 (2)0.027 (2)0.001 (2)
C340.097 (4)0.043 (3)0.063 (3)0.017 (3)0.034 (3)0.003 (2)
C350.073 (3)0.034 (2)0.057 (3)0.003 (2)0.016 (2)0.002 (2)
C360.034 (2)0.044 (2)0.039 (2)0.0013 (18)0.0041 (17)0.0042 (19)
Geometric parameters (Å, º) top
Cu—O111.918 (3)C111—C1121.385 (7)
Cu—O121.930 (3)C111—H1110.93
Cu—O221.930 (2)C112—H1120.93
Cu—O211.937 (3)C21—C221.508 (6)
Cu—N312.342 (3)C21—H21A0.96
O11—C121.266 (4)C21—H21B0.96
O12—C141.277 (4)C21—H21C0.96
O21—C221.266 (5)C22—C231.412 (6)
O22—C241.272 (5)C23—C241.405 (6)
O31—C361.224 (4)C23—C261.517 (5)
N31—C351.331 (5)C24—C251.518 (5)
N31—C311.348 (5)C25—H25A0.96
N32—C361.335 (5)C25—H25B0.96
N32—H1N1.06C25—H25C0.96
N32—H2N1.00C26—C271.507 (6)
C11—C121.516 (5)C26—H26A0.97
C11—H11A0.96C26—H26B0.97
C11—H11B0.96C27—C2121.368 (6)
C11—H11C0.96C27—C281.384 (7)
C12—C131.398 (5)C28—C291.390 (7)
C13—C141.410 (5)C28—H280.93
C13—C161.526 (5)C29—C2101.349 (9)
C14—C151.518 (6)C29—H290.93
C15—H15A0.96C210—C2111.360 (10)
C15—H15B0.96C210—H2100.93
C15—H15C0.96C211—C2121.397 (9)
C16—C171.516 (6)C211—H2110.93
C16—H16A0.97C212—H2120.93
C16—H16B0.97C31—C321.370 (5)
C17—C1121.381 (6)C31—H310.93
C17—C181.383 (6)C32—C331.387 (5)
C18—C191.385 (8)C32—C361.505 (5)
C18—H180.93C33—C341.371 (6)
C19—C1101.350 (8)C33—H330.93
C19—H190.93C34—C351.365 (6)
C110—C1111.367 (8)C34—H340.93
C110—H1100.93C35—H350.93
O11—Cu—O1291.43 (11)C111—C112—H112118.9
O11—Cu—O22169.43 (12)C22—C21—H21A109.5
O12—Cu—O2288.06 (11)C22—C21—H21B109.5
O11—Cu—O2188.86 (11)H21A—C21—H21B109.5
O12—Cu—O21172.49 (12)C22—C21—H21C109.5
O22—Cu—O2190.28 (11)H21A—C21—H21C109.5
O11—Cu—N3193.92 (12)H21B—C21—H21C109.5
O12—Cu—N3195.86 (12)O21—C22—C23125.8 (4)
O22—Cu—N3196.64 (12)O21—C22—C21114.5 (4)
O21—Cu—N3191.61 (12)C23—C22—C21119.6 (4)
C12—O11—Cu127.5 (3)C24—C23—C22120.7 (4)
C14—O12—Cu126.9 (3)C24—C23—C26120.2 (4)
C22—O21—Cu126.3 (3)C22—C23—C26119.0 (4)
C24—O22—Cu126.4 (3)O22—C24—C23126.6 (4)
C35—N31—C31116.4 (3)O22—C24—C25112.9 (4)
C35—N31—Cu121.8 (3)C23—C24—C25120.6 (4)
C31—N31—Cu121.8 (3)C24—C25—H25A109.5
C36—N32—H1N120C24—C25—H25B109.5
C36—N32—H2N127H25A—C25—H25B109.5
H1N—N32—H2N111C24—C25—H25C109.5
C12—C11—H11A109.5H25A—C25—H25C109.5
C12—C11—H11B109.5H25B—C25—H25C109.5
H11A—C11—H11B109.5C27—C26—C23116.8 (4)
C12—C11—H11C109.5C27—C26—H26A108.1
H11A—C11—H11C109.5C23—C26—H26A108.1
H11B—C11—H11C109.5C27—C26—H26B108.1
O11—C12—C13126.0 (4)C23—C26—H26B108.1
O11—C12—C11113.4 (4)H26A—C26—H26B107.3
C13—C12—C11120.6 (4)C212—C27—C28117.3 (5)
C12—C13—C14122.0 (4)C212—C27—C26119.6 (5)
C12—C13—C16118.3 (4)C28—C27—C26123.0 (4)
C14—C13—C16119.7 (4)C27—C28—C29121.5 (5)
O12—C14—C13125.5 (4)C27—C28—H28119.3
O12—C14—C15113.3 (4)C29—C28—H28119.3
C13—C14—C15121.2 (4)C210—C29—C28120.4 (7)
C14—C15—H15A109.5C210—C29—H29119.8
C14—C15—H15B109.5C28—C29—H29119.8
H15A—C15—H15B109.5C29—C210—C211119.1 (6)
C14—C15—H15C109.5C29—C210—H210120.5
H15A—C15—H15C109.5C211—C210—H210120.5
H15B—C15—H15C109.5C210—C211—C212121.0 (6)
C17—C16—C13115.6 (3)C210—C211—H211119.5
C17—C16—H16A108.4C212—C211—H211119.5
C13—C16—H16A108.4C27—C212—C211120.5 (7)
C17—C16—H16B108.4C27—C212—H212119.7
C13—C16—H16B108.4C211—C212—H212119.7
H16A—C16—H16B107.4N31—C31—C32123.7 (4)
C112—C17—C18116.5 (4)N31—C31—H31118.1
C112—C17—C16121.8 (4)C32—C31—H31118.1
C18—C17—C16121.7 (4)C31—C32—C33118.0 (4)
C17—C18—C19121.3 (5)C31—C32—C36123.4 (3)
C17—C18—H18119.3C33—C32—C36118.4 (4)
C19—C18—H18119.3C34—C33—C32119.0 (4)
C110—C19—C18120.6 (6)C34—C33—H33120.5
C110—C19—H19119.7C32—C33—H33120.5
C18—C19—H19119.7C35—C34—C33118.7 (4)
C19—C110—C111120.0 (5)C35—C34—H34120.6
C19—C110—H110120C33—C34—H34120.6
C111—C110—H110120N31—C35—C34124.1 (4)
C110—C111—C112119.4 (6)N31—C35—H35117.9
C110—C111—H111120.3C34—C35—H35117.9
C112—C111—H111120.3O31—C36—N32122.9 (4)
C17—C112—C111122.2 (5)O31—C36—C32119.4 (4)
C17—C112—H112118.9N32—C36—C32117.7 (3)
O12—Cu—O11—C128.0 (3)C19—C110—C111—C1120.2 (9)
O22—Cu—O11—C1295.1 (7)C18—C17—C112—C1110.7 (7)
O21—Cu—O11—C12179.5 (3)C16—C17—C112—C111178.3 (5)
N31—Cu—O11—C1287.9 (3)C110—C111—C112—C170.1 (8)
O11—Cu—O12—C148.4 (3)Cu—O21—C22—C2316.1 (6)
O22—Cu—O12—C14177.9 (3)Cu—O21—C22—C21166.1 (3)
N31—Cu—O12—C1485.7 (3)O21—C22—C23—C241.1 (6)
O11—Cu—O21—C22169.1 (3)C21—C22—C23—C24176.6 (4)
O22—Cu—O21—C2221.4 (3)O21—C22—C23—C26178.3 (4)
N31—Cu—O21—C2275.2 (3)C21—C22—C23—C260.6 (6)
O11—Cu—O22—C24102.6 (7)Cu—O22—C24—C237.7 (6)
O12—Cu—O22—C24170.0 (3)Cu—O22—C24—C25172.6 (3)
O21—Cu—O22—C2417.3 (3)C22—C23—C24—O225.6 (6)
N31—Cu—O22—C2474.3 (3)C26—C23—C24—O22177.2 (4)
O11—Cu—N31—C352.0 (3)C22—C23—C24—C25174.0 (4)
O12—Cu—N31—C3593.8 (3)C26—C23—C24—C253.1 (6)
O22—Cu—N31—C35177.5 (3)C24—C23—C26—C2796.6 (5)
O21—Cu—N31—C3587.0 (3)C22—C23—C26—C2780.6 (5)
O11—Cu—N31—C31178.9 (3)C23—C26—C27—C212167.1 (5)
O12—Cu—N31—C3189.2 (3)C23—C26—C27—C2812.8 (7)
O22—Cu—N31—C310.5 (3)C212—C27—C28—C291.2 (8)
O21—Cu—N31—C3190.0 (3)C26—C27—C28—C29178.9 (5)
Cu—O11—C12—C134.3 (6)C27—C28—C29—C2102.6 (9)
Cu—O11—C12—C11176.6 (3)C28—C29—C210—C2114.4 (11)
O11—C12—C13—C142.4 (6)C29—C210—C211—C2125.0 (12)
C11—C12—C13—C14176.7 (4)C28—C27—C212—C2111.8 (8)
O11—C12—C13—C16178.7 (4)C26—C27—C212—C211178.3 (5)
C11—C12—C13—C162.2 (5)C210—C211—C212—C273.8 (11)
Cu—O12—C14—C135.2 (6)C35—N31—C31—C320.1 (6)
Cu—O12—C14—C15177.1 (3)Cu—N31—C31—C32177.2 (3)
C12—C13—C14—O121.9 (6)N31—C31—C32—C330.6 (6)
C16—C13—C14—O12179.3 (3)N31—C31—C32—C36174.7 (3)
C12—C13—C14—C15175.7 (4)C31—C32—C33—C340.7 (6)
C16—C13—C14—C153.2 (6)C36—C32—C33—C34174.8 (4)
C12—C13—C16—C1780.4 (5)C32—C33—C34—C350.2 (7)
C14—C13—C16—C17100.7 (5)C31—N31—C35—C340.6 (7)
C13—C16—C17—C11243.7 (6)Cu—N31—C35—C34177.8 (4)
C13—C16—C17—C18137.3 (4)C33—C34—C35—N310.5 (8)
C112—C17—C18—C191.0 (7)C31—C32—C36—O31149.0 (4)
C16—C17—C18—C19178.0 (5)C33—C32—C36—O3126.2 (6)
C17—C18—C19—C1100.8 (9)C31—C32—C36—N3230.2 (5)
C18—C19—C110—C1110.1 (9)C33—C32—C36—N32154.6 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N32—H1N···O31i1.061.953.008 (4)178
N32—H2N···O22ii1.002.423.174 (4)131
N32—H2N···O12ii1.002.323.205 (4)147
C31—H31···O31i0.932.453.096 (5)126
C210—H210···O31iii0.932.673.453 (7)142
C34—H34···O21iv0.932.563.309 (5)138
Symmetry codes: (i) x, y+1/2, z1/2; (ii) x, y+1/2, z+1/2; (iii) x+1, y+1/2, z1/2; (iv) x, y, z+1.
 

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