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In the title complex, C5H16N22+·2C6H2N3O7, the two picrate anions lie almost parallel to each other and have possible π–π inter­actions between them. One of the anions is involved in limited N—H...O bonds, whereas the other engages in extensive N—H...O and C—H...O hydrogen bonds. Tilting of one of the ortho nitro groups in the picrate anion is influenced by the N—H...O hydrogen bond. The dimethyl­aminopropyl­ammonium and picrate ions are linked through N—H...O and C—H...O hydrogen bonds, forming chains along the crystallographic b axis. The anions form near-helical columns along the b axis owing to the presence of a 21 screw and are separated by nearly linear cationic chains.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805023652/hg6209sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805023652/hg6209Isup2.hkl
Contains datablock I

CCDC reference: 283922

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.060
  • wR factor = 0.171
  • Data-to-parameter ratio = 12.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT223_ALERT_4_C Large Solvent/Anion H Ueq(max)/Ueq(min) ... 3.14 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1A PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3A PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N5 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.06 PLAT350_ALERT_3_C Short C-H Bond (0.96A) C3A - H3A ... 0.84 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O1A .. C9 .. 2.92 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8A .. O1B .. 2.66 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A .. O6A .. 2.65 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C5 H16 N2 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 C6 H2 N3 O7
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 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 6 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

'Dimethylamino proylammonium dipicrate' top
Crystal data top
C5H16N2+·2C6H2N3O7?F(000) = 1160
Mr = 560.41Dx = 1.562 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.54180 Å
Hall symbol: -P 2ybcCell parameters from 25 reflections
a = 11.3271 (14) Åθ = 15–50°
b = 26.9657 (12) ŵ = 1.21 mm1
c = 8.0667 (6) ÅT = 293 K
β = 104.764 (4)°Needle, red
V = 2382.6 (4) Å30.25 × 0.20 × 0.15 mm
Z = 4
Data collection top
Enraf–Nonius CAD-4
diffractometer
3473 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.040
Graphite monochromatorθmax = 74.9°, θmin = 3.3°
ω–2θ scansh = 145
Absorption correction: ψ scan
(North et al., 1968)
k = 3310
Tmin = 0.760, Tmax = 0.835l = 910
5478 measured reflections2 standard reflections every 100 reflections
4900 independent reflections intensity decay: 1%
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)] = 0.060Hydrogen site location: difference Fourier map
wR(F2) = 0.171H atoms treated by a mixture of independent and constrained refinement
S = 1.05 w = 1/[σ2(Fo2) + (0.092P)2 + 0.6389P]
where P = (Fo2 + 2Fc2)/3
4900 reflections(Δ/σ)max < 0.001
408 parametersΔρmax = 0.42 e Å3
0 restraintsΔρmin = 0.32 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
O1A0.10400 (19)0.33171 (11)0.7074 (3)0.0893 (9)
O2A0.0216 (2)0.31823 (14)0.9837 (3)0.1053 (10)
O3A0.1382 (3)0.28729 (14)1.2041 (4)0.1153 (12)
O4A0.5704 (2)0.28269 (11)1.2853 (4)0.0970 (9)
O5A0.6501 (2)0.30896 (10)1.0859 (3)0.0796 (7)
O6A0.3948 (3)0.32344 (14)0.5184 (4)0.1110 (11)
O7A0.2359 (2)0.36781 (10)0.5005 (3)0.0841 (7)
N1A0.1217 (2)0.30411 (10)1.0615 (4)0.0657 (7)
N2A0.5613 (2)0.29867 (9)1.1414 (4)0.0649 (7)
N3A0.3140 (2)0.33907 (10)0.5781 (3)0.0640 (7)
C1A0.2046 (2)0.32357 (10)0.8078 (4)0.0540 (7)
C2A0.2247 (2)0.30947 (10)0.9860 (4)0.0520 (6)
C3A0.3397 (3)0.30140 (10)1.0925 (4)0.0544 (7)
C4A0.4402 (2)0.30583 (9)1.0298 (4)0.0522 (7)
C5A0.4303 (2)0.31729 (10)0.8598 (4)0.0510 (6)
C6A0.3174 (2)0.32632 (9)0.7549 (3)0.0498 (6)
H3A0.337 (3)0.2953 (12)1.193 (4)0.058 (9)*
H5A0.500 (3)0.3190 (10)0.813 (4)0.053 (8)*
O1B0.15789 (14)0.47321 (7)0.3495 (2)0.0445 (4)
O2B0.1033 (2)0.47287 (11)0.0399 (3)0.0889 (9)
O3B0.20159 (19)0.41760 (8)0.1245 (3)0.0614 (5)
O4B0.63352 (19)0.41767 (9)0.2019 (2)0.0698 (6)
O5B0.70768 (18)0.42925 (10)0.0153 (3)0.0758 (7)
O6B0.43662 (18)0.45323 (8)0.5684 (2)0.0610 (5)
O7B0.28214 (18)0.50057 (9)0.5804 (2)0.0664 (6)
N1B0.19081 (19)0.44619 (8)0.0045 (3)0.0468 (5)
N2B0.62181 (19)0.42712 (8)0.0513 (3)0.0486 (5)
N3B0.36183 (18)0.47231 (8)0.5032 (2)0.0450 (5)
C1B0.26255 (19)0.46288 (8)0.2599 (3)0.0343 (4)
C2B0.2891 (2)0.44868 (8)0.0814 (3)0.0363 (5)
C3B0.4031 (2)0.43643 (8)0.0182 (3)0.0376 (5)
C4B0.5005 (2)0.43756 (8)0.0543 (3)0.0373 (5)
C5B0.4848 (2)0.44918 (8)0.2263 (3)0.0366 (5)
C6B0.3705 (2)0.46119 (8)0.3232 (3)0.0364 (5)
H3B0.411 (3)0.4273 (12)0.128 (4)0.067 (9)*
H5B0.549 (2)0.4498 (8)0.270 (3)0.031 (6)*
N40.0200 (2)0.45868 (9)0.3060 (3)0.0468 (5)
H4A0.055 (3)0.4604 (13)0.221 (5)0.077 (11)*
H4B0.077 (3)0.4630 (13)0.416 (5)0.075 (10)*
H4C0.041 (3)0.4833 (12)0.298 (4)0.061 (8)*
N50.1383 (2)0.33234 (9)0.6331 (3)0.0502 (5)
H5N0.064 (3)0.3330 (12)0.703 (4)0.066 (9)*
C70.0328 (2)0.40798 (11)0.3023 (3)0.0475 (6)
H7A0.031 (3)0.3801 (12)0.302 (4)0.064 (9)*
H7B0.101 (3)0.4031 (13)0.194 (5)0.079 (10)*
C80.0813 (2)0.40039 (10)0.4585 (3)0.0442 (5)
H8A0.014 (2)0.4046 (10)0.555 (3)0.044 (7)*
H8B0.145 (3)0.4247 (12)0.465 (4)0.063 (9)*
C90.1301 (3)0.34806 (11)0.4582 (4)0.0519 (6)
H9B0.211 (3)0.3458 (12)0.388 (4)0.070 (9)*
H9A0.080 (3)0.3243 (12)0.424 (4)0.064 (9)*
C100.2198 (4)0.36402 (16)0.7022 (6)0.0921 (13)
H10A0.22170.35240.81400.138*
H10B0.30060.36280.62740.138*
H10C0.19040.39750.71050.138*
C110.1745 (3)0.27941 (12)0.6313 (5)0.0770 (10)
H11A0.17940.26980.74400.116*
H11B0.11490.25930.59710.116*
H11C0.25270.27490.55170.116*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O1A0.0418 (11)0.135 (2)0.0796 (15)0.0088 (13)0.0059 (10)0.0460 (16)
O2A0.0568 (14)0.182 (3)0.0716 (16)0.0149 (17)0.0067 (12)0.0114 (18)
O3A0.0842 (19)0.152 (3)0.105 (2)0.0082 (18)0.0149 (16)0.065 (2)
O4A0.0751 (16)0.106 (2)0.0825 (17)0.0009 (14)0.0299 (13)0.0278 (15)
O5A0.0464 (12)0.0848 (16)0.0938 (17)0.0102 (11)0.0076 (11)0.0147 (13)
O6A0.101 (2)0.160 (3)0.0737 (17)0.036 (2)0.0250 (16)0.0044 (18)
O7A0.0771 (16)0.0925 (18)0.0705 (15)0.0075 (13)0.0039 (12)0.0215 (13)
N1A0.0559 (14)0.0654 (16)0.0673 (16)0.0051 (12)0.0001 (12)0.0078 (13)
N2A0.0551 (15)0.0509 (14)0.0698 (17)0.0073 (11)0.0190 (12)0.0026 (12)
N3A0.0634 (15)0.0694 (16)0.0506 (14)0.0064 (13)0.0013 (12)0.0007 (12)
C1A0.0434 (13)0.0490 (14)0.0594 (16)0.0031 (11)0.0056 (11)0.0064 (12)
C2A0.0486 (14)0.0425 (13)0.0574 (15)0.0007 (11)0.0002 (12)0.0015 (11)
C3A0.0567 (16)0.0434 (14)0.0510 (16)0.0011 (12)0.0086 (13)0.0023 (12)
C4A0.0456 (14)0.0390 (13)0.0582 (15)0.0065 (10)0.0123 (12)0.0045 (11)
C5A0.0450 (14)0.0407 (13)0.0584 (16)0.0059 (11)0.0028 (12)0.0101 (11)
C6A0.0481 (14)0.0414 (13)0.0518 (14)0.0022 (11)0.0023 (11)0.0030 (11)
O1B0.0329 (8)0.0575 (10)0.0405 (8)0.0053 (7)0.0048 (6)0.0045 (7)
O2B0.0717 (14)0.124 (2)0.0858 (16)0.0550 (15)0.0484 (13)0.0553 (15)
O3B0.0667 (12)0.0717 (13)0.0526 (11)0.0058 (10)0.0278 (9)0.0205 (10)
O4B0.0618 (12)0.0942 (16)0.0419 (10)0.0262 (11)0.0077 (9)0.0028 (10)
O5B0.0390 (10)0.113 (2)0.0719 (14)0.0190 (11)0.0083 (10)0.0066 (13)
O6B0.0550 (11)0.0910 (15)0.0414 (9)0.0020 (10)0.0200 (8)0.0054 (10)
O7B0.0542 (11)0.0928 (15)0.0501 (11)0.0076 (11)0.0093 (9)0.0342 (11)
N1B0.0459 (11)0.0522 (12)0.0462 (11)0.0075 (9)0.0186 (9)0.0081 (9)
N2B0.0425 (11)0.0506 (12)0.0450 (12)0.0132 (9)0.0028 (9)0.0045 (9)
N3B0.0392 (10)0.0615 (13)0.0336 (10)0.0061 (9)0.0077 (8)0.0057 (9)
C1B0.0344 (10)0.0333 (10)0.0340 (10)0.0024 (8)0.0066 (8)0.0024 (8)
C2B0.0385 (11)0.0382 (11)0.0339 (11)0.0044 (9)0.0121 (9)0.0015 (9)
C3B0.0458 (12)0.0346 (11)0.0303 (11)0.0062 (9)0.0056 (9)0.0001 (8)
C4B0.0356 (11)0.0354 (11)0.0363 (11)0.0073 (9)0.0006 (9)0.0034 (9)
C5B0.0324 (10)0.0403 (11)0.0369 (11)0.0003 (9)0.0086 (9)0.0026 (9)
C6B0.0362 (11)0.0423 (12)0.0302 (10)0.0020 (9)0.0077 (8)0.0026 (9)
N40.0393 (11)0.0612 (14)0.0411 (11)0.0079 (10)0.0127 (9)0.0079 (10)
N50.0419 (11)0.0514 (12)0.0524 (12)0.0031 (9)0.0030 (10)0.0066 (10)
C70.0411 (12)0.0586 (16)0.0392 (12)0.0063 (11)0.0035 (10)0.0011 (11)
C80.0387 (12)0.0482 (14)0.0419 (12)0.0018 (10)0.0034 (10)0.0034 (10)
C90.0464 (14)0.0536 (16)0.0462 (14)0.0056 (12)0.0053 (11)0.0031 (12)
C100.091 (3)0.093 (3)0.111 (3)0.024 (2)0.061 (2)0.024 (2)
C110.079 (2)0.0607 (19)0.077 (2)0.0209 (16)0.0054 (17)0.0179 (16)
Geometric parameters (Å, º) top
O1A—C1A1.238 (3)C1B—C2B1.445 (3)
O2A—N1A1.209 (3)C2B—C3B1.376 (3)
O3A—N1A1.206 (4)C3B—C4B1.374 (3)
O4A—N2A1.218 (4)C3B—H3B0.90 (3)
O5A—N2A1.233 (4)C4B—C5B1.389 (3)
O6A—N3A1.213 (4)C5B—C6B1.370 (3)
O7A—N3A1.222 (3)C5B—H5B0.89 (2)
N1A—C2A1.454 (4)N4—C71.490 (4)
N2A—C4A1.449 (3)N4—H4A0.88 (4)
N3A—C6A1.458 (4)N4—H4B0.96 (4)
C1A—C2A1.448 (4)N4—H4C0.95 (3)
C1A—C6A1.448 (4)N5—C101.468 (4)
C2A—C3A1.383 (4)N5—C111.484 (4)
C3A—C4A1.363 (4)N5—C91.499 (4)
C3A—H3A0.83 (3)N5—H5N0.88 (3)
C4A—C5A1.382 (4)C7—C81.511 (4)
C5A—C6A1.364 (4)C7—H7A1.05 (3)
C5A—H5A0.96 (3)C7—H7B1.02 (4)
O1B—C1B1.253 (3)C8—C91.516 (4)
O2B—N1B1.203 (3)C8—H8A0.94 (3)
O3B—N1B1.219 (3)C8—H8B0.98 (3)
O4B—N2B1.215 (3)C9—H9B0.95 (4)
O5B—N2B1.226 (3)C9—H9A0.94 (3)
O6B—N3B1.219 (3)C10—H10A0.9600
O7B—N3B1.223 (3)C10—H10B0.9600
N1B—C2B1.455 (3)C10—H10C0.9600
N2B—C4B1.447 (3)C11—H11A0.9600
N3B—C6B1.462 (3)C11—H11B0.9600
C1B—C6B1.441 (3)C11—H11C0.9600
O3A—N1A—O2A120.7 (3)C6B—C5B—C4B119.0 (2)
O3A—N1A—C2A119.4 (3)C6B—C5B—H5B121.4 (15)
O2A—N1A—C2A119.8 (3)C4B—C5B—H5B119.5 (15)
O4A—N2A—O5A123.2 (3)C5B—C6B—C1B124.70 (19)
O4A—N2A—C4A118.4 (3)C5B—C6B—N3B115.47 (19)
O5A—N2A—C4A118.4 (3)C1B—C6B—N3B119.83 (19)
O6A—N3A—O7A122.5 (3)C7—N4—H4A107 (2)
O6A—N3A—C6A118.2 (3)C7—N4—H4B108 (2)
O7A—N3A—C6A119.1 (3)H4A—N4—H4B112 (3)
O1A—C1A—C2A125.6 (3)C7—N4—H4C110.8 (18)
O1A—C1A—C6A122.1 (3)H4A—N4—H4C113 (3)
C2A—C1A—C6A112.2 (2)H4B—N4—H4C106 (3)
C3A—C2A—C1A122.9 (3)C10—N5—C11111.3 (3)
C3A—C2A—N1A117.0 (3)C10—N5—C9112.9 (2)
C1A—C2A—N1A120.1 (2)C11—N5—C9110.2 (2)
C4A—C3A—C2A119.9 (3)C10—N5—H5N110 (2)
C4A—C3A—H3A128 (2)C11—N5—H5N104 (2)
C2A—C3A—H3A112 (2)C9—N5—H5N108 (2)
C3A—C4A—C5A121.6 (2)N4—C7—C8109.7 (2)
C3A—C4A—N2A120.4 (3)N4—C7—H7A112.5 (17)
C5A—C4A—N2A118.1 (3)C8—C7—H7A107.8 (16)
C6A—C5A—C4A118.8 (3)N4—C7—H7B110 (2)
C6A—C5A—H5A119.0 (17)C8—C7—H7B110.0 (19)
C4A—C5A—H5A122.2 (17)H7A—C7—H7B106 (3)
C5A—C6A—C1A124.5 (3)C7—C8—C9109.6 (2)
C5A—C6A—N3A115.8 (3)C7—C8—H8A106.4 (15)
C1A—C6A—N3A119.7 (2)C9—C8—H8A109.4 (16)
O2B—N1B—O3B121.5 (2)C7—C8—H8B112.3 (18)
O2B—N1B—C2B120.2 (2)C9—C8—H8B110.4 (18)
O3B—N1B—C2B118.2 (2)H8A—C8—H8B109 (2)
O4B—N2B—O5B123.4 (2)N5—C9—C8111.8 (2)
O4B—N2B—C4B118.3 (2)N5—C9—H9B105 (2)
O5B—N2B—C4B118.2 (2)C8—C9—H9B111 (2)
O6B—N3B—O7B123.2 (2)N5—C9—H9A106 (2)
O6B—N3B—C6B117.6 (2)C8—C9—H9A113 (2)
O7B—N3B—C6B119.2 (2)H9B—C9—H9A110 (3)
O1B—C1B—C6B124.48 (19)N5—C10—H10A109.5
O1B—C1B—C2B124.1 (2)N5—C10—H10B109.5
C6B—C1B—C2B111.36 (18)H10A—C10—H10B109.5
C3B—C2B—C1B124.9 (2)N5—C10—H10C109.5
C3B—C2B—N1B115.40 (19)H10A—C10—H10C109.5
C1B—C2B—N1B119.72 (19)H10B—C10—H10C109.5
C4B—C3B—C2B118.8 (2)N5—C11—H11A109.5
C4B—C3B—H3B122 (2)N5—C11—H11B109.5
C2B—C3B—H3B119 (2)H11A—C11—H11B109.5
C3B—C4B—C5B121.1 (2)N5—C11—H11C109.5
C3B—C4B—N2B119.3 (2)H11A—C11—H11C109.5
C5B—C4B—N2B119.5 (2)H11B—C11—H11C109.5
O1A—C1A—C2A—C3A179.3 (3)O1B—C1B—C2B—N1B0.5 (3)
C6A—C1A—C2A—C3A2.1 (4)C6B—C1B—C2B—N1B177.6 (2)
O1A—C1A—C2A—N1A0.5 (5)O2B—N1B—C2B—C3B150.7 (3)
C6A—C1A—C2A—N1A179.1 (2)O3B—N1B—C2B—C3B27.2 (3)
O3A—N1A—C2A—C3A9.0 (4)O2B—N1B—C2B—C1B29.8 (4)
O2A—N1A—C2A—C3A168.2 (3)O3B—N1B—C2B—C1B152.3 (2)
O3A—N1A—C2A—C1A172.1 (3)C1B—C2B—C3B—C4B0.1 (4)
O2A—N1A—C2A—C1A10.6 (4)N1B—C2B—C3B—C4B179.5 (2)
C1A—C2A—C3A—C4A1.1 (4)C2B—C3B—C4B—C5B2.2 (3)
N1A—C2A—C3A—C4A180.0 (2)C2B—C3B—C4B—N2B177.0 (2)
C2A—C3A—C4A—C5A1.4 (4)O4B—N2B—C4B—C3B0.1 (3)
C2A—C3A—C4A—N2A178.5 (2)O5B—N2B—C4B—C3B178.7 (2)
O4A—N2A—C4A—C3A9.0 (4)O4B—N2B—C4B—C5B179.1 (2)
O5A—N2A—C4A—C3A171.1 (3)O5B—N2B—C4B—C5B0.5 (3)
O4A—N2A—C4A—C5A171.1 (3)C3B—C4B—C5B—C6B2.1 (3)
O5A—N2A—C4A—C5A8.7 (4)N2B—C4B—C5B—C6B177.1 (2)
C3A—C4A—C5A—C6A2.7 (4)C4B—C5B—C6B—C1B0.1 (3)
N2A—C4A—C5A—C6A177.1 (2)C4B—C5B—C6B—N3B179.3 (2)
C4A—C5A—C6A—C1A1.7 (4)O1B—C1B—C6B—C5B179.0 (2)
C4A—C5A—C6A—N3A178.9 (2)C2B—C1B—C6B—C5B1.9 (3)
O1A—C1A—C6A—C5A179.4 (3)O1B—C1B—C6B—N3B0.4 (3)
C2A—C1A—C6A—C5A0.7 (4)C2B—C1B—C6B—N3B177.5 (2)
O1A—C1A—C6A—N3A0.0 (4)O6B—N3B—C6B—C5B27.0 (3)
C2A—C1A—C6A—N3A178.8 (2)O7B—N3B—C6B—C5B151.9 (2)
O6A—N3A—C6A—C5A27.4 (4)O6B—N3B—C6B—C1B152.4 (2)
O7A—N3A—C6A—C5A147.2 (3)O7B—N3B—C6B—C1B28.6 (3)
O6A—N3A—C6A—C1A152.1 (3)N4—C7—C8—C9177.6 (2)
O7A—N3A—C6A—C1A33.3 (4)C10—N5—C9—C860.5 (3)
O1B—C1B—C2B—C3B178.9 (2)C11—N5—C9—C8174.4 (2)
C6B—C1B—C2B—C3B1.8 (3)C7—C8—C9—N5159.9 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N5—H5N···O1A0.88 (3)1.89 (3)2.655 (3)143 (3)
N5—H5N···O2A0.88 (3)2.26 (3)2.968 (3)137 (3)
N4—H4A···O2B0.88 (4)2.33 (4)3.188 (3)166 (3)
N4—H4A···O3B0.88 (4)2.31 (4)3.023 (3)138 (3)
N4—H4B···O1Bi0.96 (4)1.90 (4)2.846 (3)167 (3)
N4—H4B···O7Bi0.96 (4)2.53 (3)3.089 (3)118 (3)
N4—H4C···O1Bii0.95 (3)1.89 (3)2.814 (3)164 (3)
N4—H4C···O2Bii0.95 (3)2.34 (3)2.905 (3)117 (2)
C7—H7A···O7A1.05 (3)2.48 (3)3.243 (4)129 (2)
C8—H8A···O1A0.94 (3)2.52 (3)3.117 (3)122 (2)
C8—H8A···O1Bi0.94 (3)2.66 (3)3.384 (3)135 (2)
C3B—H3B···O6Bi0.90 (3)2.49 (3)3.290 (3)148 (3)
C3A—H3A···O6Ai0.83 (3)2.65 (3)3.385 (4)147 (3)
C7—H7B···O5Biii1.02 (4)2.48 (4)3.419 (3)153 (3)
C11—H11C···O4Aiv0.962.553.469 (4)161
Symmetry codes: (i) x, y, z+1; (ii) x, y+1, z; (iii) x1, y, z; (iv) x1, y, z1.
 

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