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The reaction of Bi(NO3)3·5H2O with a 1:2 mol­ecular complex of pyridine-2,6-dicarboxylic acid (pydcH2) and 2,4,6-triamino-1,3,5-triazine (tata) in aqueous solution leads to formation of the title compound, (C3H7N6)[Bi(C7H3NO4)2(H2O)]. The BiIII atom is octa­coordinated by two tridentate pydc2− ligands, one O atom of a water mol­ecule and one O atom from a Bi—O—Bi bridge. Extensive O—H...O and N—H...O hydrogen bonding exists between the anionic polymers and the tataH+ cations.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807021010/bi2175sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807021010/bi2175Isup2.hkl
Contains datablock I

CCDC reference: 263829

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.026
  • wR factor = 0.066
  • Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found



Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.195 0.645 Tmin and Tmax expected: 0.135 0.645 RR = 1.440 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.39 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.04
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT794_ALERT_5_G Check Predicted Bond Valency for Bi1 (3) 2.73
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Computing details top

Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms, 1995); program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

catena-Poly[2,4,6-triamino-1,3,5-triazin-1-ium [[aqua(pyridine-2,6-dicarboxylato-κ3O,N,O')bismuth(III)]-µ-µ2-pyridine-2,6-dicarboxylato-κ4O,N,O':O']] top
Crystal data top
(C3H7N6)[Bi(C7H3NO4)2(H2O)]F(000) = 1312
Mr = 684.35Dx = 2.244 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 24 reflections
a = 9.3948 (19) Åθ = 7–13°
b = 23.351 (5) ŵ = 8.78 mm1
c = 9.950 (2) ÅT = 293 K
β = 111.88 (3)°Plate, colourless
V = 2025.6 (7) Å30.35 × 0.20 × 0.05 mm
Z = 4
Data collection top
Enraf–Nonius CAD-4
diffractometer
3715 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.034
Graphite monochromatorθmax = 28.0°, θmin = 1.7°
ωθ scansh = 012
Absorption correction: ψ scan
(North et al., 1968)
k = 030
Tmin = 0.195, Tmax = 0.645l = 1312
5152 measured reflections2 standard reflections every 98 reflections
4871 independent reflections intensity decay: 2.5%
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)] = 0.026Hydrogen site location: mixed
wR(F2) = 0.066H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0362P)2]
where P = (Fo2 + 2Fc2)/3
4871 reflections(Δ/σ)max = 0.001
316 parametersΔρmax = 0.69 e Å3
0 restraintsΔρmin = 1.14 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
Bi10.552810 (17)0.193019 (7)1.439182 (16)0.02237 (6)
O10.6111 (3)0.10498 (13)1.5581 (3)0.0282 (7)
O20.6980 (4)0.28698 (14)1.4813 (4)0.0324 (7)
O30.7770 (4)0.04895 (15)1.7231 (4)0.0488 (10)
O40.8748 (4)0.34122 (14)1.6453 (4)0.0376 (8)
O50.3952 (4)0.12880 (16)1.2400 (4)0.0396 (9)
O60.4941 (3)0.23637 (14)1.6281 (3)0.0309 (7)
O70.1897 (3)0.07319 (15)1.1434 (3)0.0328 (7)
O80.3550 (4)0.23668 (15)1.7681 (4)0.0354 (8)
O90.7444 (4)0.13691 (15)1.3525 (4)0.0393 (8)
H9A0.70390.10781.30110.047*
H9B0.82350.14641.33570.047*
N10.7928 (4)0.19504 (15)1.6514 (4)0.0216 (7)
N20.3185 (4)0.15528 (15)1.4605 (4)0.0227 (7)
N30.6811 (4)0.04424 (16)1.0465 (4)0.0296 (8)
H3N0.70370.04750.96660.036*
N40.6856 (4)0.02450 (16)1.2196 (4)0.0271 (8)
N50.5374 (4)0.06224 (16)1.1893 (4)0.0298 (8)
N60.8104 (4)0.03998 (18)1.0631 (4)0.0347 (9)
H6A0.82300.07751.08560.042*
H6B0.84450.03560.99020.042*
N70.5467 (5)0.0034 (2)1.3595 (5)0.0454 (12)
H7A0.59800.02841.42970.055*
H7B0.48320.02081.38030.055*
N80.5389 (5)0.12643 (17)1.0165 (4)0.0350 (9)
H8A0.55570.13550.93570.042*
H8B0.46490.14691.03120.042*
C10.7356 (5)0.09566 (19)1.6671 (5)0.0286 (10)
C20.8347 (5)0.14704 (19)1.7294 (5)0.0251 (9)
C30.9637 (5)0.1459 (2)1.8559 (5)0.0313 (10)
H30.99370.11221.90890.038*
C41.0464 (5)0.1954 (2)1.9016 (5)0.0360 (11)
H41.13210.19581.98740.043*
C51.0020 (5)0.2444 (2)1.8199 (5)0.0333 (10)
H51.05800.27811.84870.040*
C60.8723 (5)0.24267 (18)1.6939 (5)0.0233 (9)
C70.8105 (5)0.29447 (19)1.5985 (5)0.0266 (9)
C80.2748 (5)0.10383 (19)1.2407 (5)0.0267 (9)
C90.2370 (5)0.11399 (19)1.3732 (5)0.0244 (9)
C100.1267 (5)0.0835 (2)1.4023 (5)0.0310 (10)
H100.07320.05401.34180.037*
C110.0975 (5)0.0983 (2)1.5256 (5)0.0358 (11)
H110.02420.07841.54900.043*
C120.1769 (5)0.1421 (2)1.6113 (5)0.0318 (10)
H120.15640.15311.69210.038*
C130.2888 (5)0.1701 (2)1.5763 (4)0.0249 (9)
C140.3863 (5)0.2182 (2)1.6654 (5)0.0293 (10)
C150.7253 (5)0.00785 (19)1.1110 (5)0.0256 (9)
C160.5916 (5)0.01188 (19)1.2534 (5)0.0287 (10)
C170.5839 (5)0.0775 (2)1.0865 (5)0.0277 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Bi10.02346 (8)0.02507 (9)0.01794 (8)0.00073 (7)0.00697 (5)0.00121 (7)
O10.0299 (16)0.0265 (16)0.0264 (16)0.0035 (13)0.0084 (13)0.0008 (13)
O20.0350 (17)0.0271 (16)0.0317 (18)0.0022 (14)0.0087 (14)0.0046 (14)
O30.049 (2)0.0269 (19)0.060 (3)0.0025 (16)0.0078 (19)0.0104 (17)
O40.048 (2)0.0248 (18)0.039 (2)0.0076 (15)0.0153 (16)0.0044 (15)
O50.0415 (19)0.050 (2)0.0328 (19)0.0185 (17)0.0203 (16)0.0188 (17)
O60.0301 (16)0.0366 (19)0.0270 (17)0.0062 (14)0.0116 (14)0.0088 (14)
O70.0328 (16)0.0388 (19)0.0238 (16)0.0056 (14)0.0071 (13)0.0118 (14)
O80.0362 (18)0.046 (2)0.0264 (17)0.0085 (16)0.0149 (14)0.0138 (15)
O90.0436 (19)0.040 (2)0.043 (2)0.0078 (16)0.0264 (17)0.0117 (17)
N10.0218 (16)0.0234 (17)0.0195 (16)0.0008 (14)0.0074 (13)0.0008 (14)
N20.0225 (17)0.0236 (18)0.0204 (17)0.0008 (14)0.0062 (14)0.0001 (14)
N30.039 (2)0.027 (2)0.027 (2)0.0050 (17)0.0172 (17)0.0046 (16)
N40.034 (2)0.0241 (19)0.0237 (18)0.0032 (16)0.0114 (16)0.0065 (15)
N50.042 (2)0.028 (2)0.0213 (18)0.0055 (16)0.0134 (16)0.0014 (15)
N60.041 (2)0.032 (2)0.038 (2)0.0117 (18)0.0223 (19)0.0085 (18)
N70.067 (3)0.044 (3)0.039 (3)0.023 (2)0.035 (2)0.021 (2)
N80.055 (3)0.025 (2)0.027 (2)0.0102 (19)0.0176 (19)0.0077 (16)
C10.031 (2)0.026 (2)0.032 (2)0.0031 (18)0.0156 (19)0.0034 (19)
C20.024 (2)0.025 (2)0.027 (2)0.0016 (17)0.0115 (17)0.0003 (18)
C30.032 (2)0.037 (3)0.024 (2)0.003 (2)0.0084 (18)0.008 (2)
C40.029 (2)0.047 (3)0.026 (2)0.001 (2)0.0033 (19)0.001 (2)
C50.033 (2)0.034 (3)0.028 (2)0.006 (2)0.0059 (19)0.005 (2)
C60.023 (2)0.026 (2)0.022 (2)0.0037 (16)0.0096 (17)0.0015 (17)
C70.029 (2)0.028 (2)0.028 (2)0.0014 (17)0.0164 (19)0.0017 (18)
C80.034 (2)0.025 (2)0.019 (2)0.0054 (18)0.0078 (18)0.0003 (17)
C90.022 (2)0.028 (2)0.019 (2)0.0020 (17)0.0029 (16)0.0012 (17)
C100.028 (2)0.031 (2)0.031 (2)0.0022 (19)0.0073 (18)0.002 (2)
C110.031 (2)0.044 (3)0.035 (3)0.006 (2)0.015 (2)0.002 (2)
C120.030 (2)0.046 (3)0.023 (2)0.000 (2)0.0136 (18)0.001 (2)
C130.025 (2)0.031 (2)0.017 (2)0.0049 (18)0.0064 (16)0.0019 (17)
C140.024 (2)0.044 (3)0.017 (2)0.008 (2)0.0058 (17)0.004 (2)
C150.027 (2)0.027 (2)0.019 (2)0.0017 (18)0.0044 (17)0.0017 (17)
C160.036 (2)0.022 (2)0.026 (2)0.0018 (19)0.0097 (19)0.0000 (18)
C170.034 (2)0.024 (2)0.021 (2)0.0000 (19)0.0061 (17)0.0009 (18)
Geometric parameters (Å, º) top
Bi1—O12.333 (3)N5—C161.344 (5)
Bi1—O62.374 (3)N6—C151.310 (6)
Bi1—N12.448 (3)N6—H6A0.900
Bi1—N22.452 (3)N6—H6B0.900
Bi1—O52.486 (3)N7—C161.324 (6)
Bi1—O22.535 (3)N7—H7A0.900
Bi1—O8i2.586 (3)N7—H7B0.900
Bi1—O92.618 (3)N8—C171.323 (6)
O1—C11.283 (5)N8—H8A0.900
O2—C71.261 (6)N8—H8B0.900
O3—C11.221 (6)C1—C21.503 (6)
O4—C71.250 (5)C2—C31.385 (6)
O5—C81.275 (6)C3—C41.373 (7)
O6—C141.274 (5)C3—H30.930
O7—C81.229 (5)C4—C51.375 (7)
O8—C141.241 (5)C4—H40.930
O8—Bi1ii2.586 (3)C5—C61.386 (6)
O9—H9A0.850C5—H50.930
O9—H9B0.850C6—C71.513 (6)
N1—C61.319 (5)C8—C91.506 (6)
N1—C21.336 (5)C9—C101.374 (6)
N2—C131.328 (5)C10—C111.396 (7)
N2—C91.332 (5)C10—H100.930
N3—C171.366 (6)C11—C121.362 (7)
N3—C151.366 (6)C11—H110.930
N3—H3N0.900C12—C131.388 (6)
N4—C151.325 (6)C12—H120.930
N4—C161.355 (6)C13—C141.511 (7)
N5—C171.303 (6)
O1—Bi1—O693.09 (11)C17—N8—H8B119.2
O1—Bi1—N167.22 (11)H8A—N8—H8B115.0
O6—Bi1—N173.74 (11)O3—C1—O1124.9 (4)
O1—Bi1—N271.82 (11)O3—C1—C2118.8 (4)
O6—Bi1—N266.66 (11)O1—C1—C2116.3 (4)
N1—Bi1—N2119.99 (11)N1—C2—C3120.9 (4)
O1—Bi1—O580.24 (12)N1—C2—C1115.3 (4)
O6—Bi1—O5130.03 (11)C3—C2—C1123.8 (4)
N1—Bi1—O5141.49 (12)C4—C3—C2118.7 (4)
N2—Bi1—O564.22 (11)C4—C3—H3120.7
O1—Bi1—O2131.96 (11)C2—C3—H3120.7
O6—Bi1—O276.66 (11)C3—C4—C5119.7 (4)
N1—Bi1—O264.84 (11)C3—C4—H4120.1
N2—Bi1—O2137.88 (12)C5—C4—H4120.1
O5—Bi1—O2141.07 (12)C4—C5—C6118.8 (4)
O1—Bi1—O8i150.28 (11)C4—C5—H5120.6
O6—Bi1—O8i85.91 (11)C6—C5—H5120.6
N1—Bi1—O8i139.49 (12)N1—C6—C5121.1 (4)
N2—Bi1—O8i80.63 (11)N1—C6—C7115.7 (4)
O5—Bi1—O8i77.86 (13)C5—C6—C7123.1 (4)
O2—Bi1—O8i76.69 (11)O4—C7—O2126.0 (4)
O1—Bi1—O970.48 (11)O4—C7—C6116.4 (4)
O6—Bi1—O9149.91 (11)O2—C7—C6117.6 (4)
N1—Bi1—O976.62 (11)O7—C8—O5125.5 (4)
N2—Bi1—O9126.72 (11)O7—C8—C9119.0 (4)
O5—Bi1—O973.39 (11)O5—C8—C9115.6 (4)
O2—Bi1—O995.40 (11)N2—C9—C10122.2 (4)
O8i—Bi1—O9120.95 (11)N2—C9—C8114.8 (4)
C1—O1—Bi1123.1 (3)C10—C9—C8123.0 (4)
C7—O2—Bi1119.2 (3)C9—C10—C11117.8 (4)
C8—O5—Bi1122.5 (3)C9—C10—H10121.1
C14—O6—Bi1122.2 (3)C11—C10—H10121.1
C14—O8—Bi1ii115.5 (3)C12—C11—C10119.7 (4)
Bi1—O9—H9A112.9C12—C11—H11120.2
Bi1—O9—H9B133.9C10—C11—H11120.2
H9A—O9—H9B108.6C11—C12—C13119.0 (4)
C6—N1—C2120.8 (4)C11—C12—H12120.5
C6—N1—Bi1121.5 (3)C13—C12—H12120.5
C2—N1—Bi1117.5 (3)N2—C13—C12121.3 (4)
C13—N2—C9119.9 (4)N2—C13—C14115.1 (4)
C13—N2—Bi1117.8 (3)C12—C13—C14123.6 (4)
C9—N2—Bi1121.3 (3)O8—C14—O6125.6 (5)
C17—N3—C15119.2 (4)O8—C14—C13117.6 (4)
C17—N3—H3N127.9O6—C14—C13116.8 (4)
C15—N3—H3N111.1N6—C15—N4121.6 (4)
C15—N4—C16115.2 (4)N6—C15—N3117.3 (4)
C17—N5—C16115.7 (4)N4—C15—N3121.1 (4)
C15—N6—H6A120.5N7—C16—N5115.9 (4)
C15—N6—H6B132.6N7—C16—N4117.4 (4)
H6A—N6—H6B104.9N5—C16—N4126.7 (4)
C16—N7—H7A123.8N5—C17—N8121.0 (4)
C16—N7—H7B116.7N5—C17—N3122.0 (4)
H7A—N7—H7B116.0N8—C17—N3117.0 (4)
C17—N8—H8A123.1
O6—Bi1—O1—C174.8 (3)Bi1—N1—C2—C16.0 (5)
N1—Bi1—O1—C13.9 (3)O3—C1—C2—N1171.5 (4)
N2—Bi1—O1—C1139.0 (4)O1—C1—C2—N19.2 (6)
O5—Bi1—O1—C1155.1 (4)O3—C1—C2—C36.6 (7)
O2—Bi1—O1—C10.0 (4)O1—C1—C2—C3172.7 (4)
O8i—Bi1—O1—C1162.0 (3)N1—C2—C3—C41.3 (7)
O9—Bi1—O1—C179.3 (3)C1—C2—C3—C4179.3 (4)
O1—Bi1—O2—C714.0 (4)C2—C3—C4—C51.5 (7)
O6—Bi1—O2—C768.1 (3)C3—C4—C5—C61.1 (8)
N1—Bi1—O2—C710.0 (3)C2—N1—C6—C50.4 (7)
N2—Bi1—O2—C797.7 (3)Bi1—N1—C6—C5175.3 (3)
O5—Bi1—O2—C7152.6 (3)C2—N1—C6—C7178.3 (4)
O8i—Bi1—O2—C7157.0 (3)Bi1—N1—C6—C73.4 (5)
O9—Bi1—O2—C782.5 (3)C4—C5—C6—N10.6 (7)
O1—Bi1—O5—C870.8 (4)C4—C5—C6—C7178.0 (4)
O6—Bi1—O5—C815.0 (4)Bi1—O2—C7—O4166.3 (3)
N1—Bi1—O5—C8102.9 (4)Bi1—O2—C7—C612.3 (5)
N2—Bi1—O5—C83.6 (3)N1—C6—C7—O4172.5 (4)
O2—Bi1—O5—C8139.1 (3)C5—C6—C7—O46.1 (6)
O8i—Bi1—O5—C889.0 (4)N1—C6—C7—O26.2 (6)
O9—Bi1—O5—C8143.2 (4)C5—C6—C7—O2175.2 (4)
O1—Bi1—O6—C1461.1 (3)Bi1—O5—C8—O7177.5 (3)
N1—Bi1—O6—C14126.3 (4)Bi1—O5—C8—C92.2 (5)
N2—Bi1—O6—C147.6 (3)C13—N2—C9—C103.5 (6)
O5—Bi1—O6—C1418.7 (4)Bi1—N2—C9—C10165.2 (3)
O2—Bi1—O6—C14166.4 (4)C13—N2—C9—C8176.2 (4)
O8i—Bi1—O6—C1489.1 (3)Bi1—N2—C9—C815.1 (5)
O9—Bi1—O6—C14116.1 (3)O7—C8—C9—N2168.7 (4)
O1—Bi1—N1—C6176.7 (3)O5—C8—C9—N211.0 (6)
O6—Bi1—N1—C676.1 (3)O7—C8—C9—C1011.0 (7)
N2—Bi1—N1—C6126.0 (3)O5—C8—C9—C10169.3 (4)
O5—Bi1—N1—C6148.7 (3)N2—C9—C10—C112.2 (7)
O2—Bi1—N1—C66.5 (3)C8—C9—C10—C11177.5 (4)
O8i—Bi1—N1—C613.3 (4)C9—C10—C11—C120.5 (7)
O9—Bi1—N1—C6109.1 (3)C10—C11—C12—C131.9 (7)
O1—Bi1—N1—C21.6 (3)C9—N2—C13—C122.0 (6)
O6—Bi1—N1—C298.9 (3)Bi1—N2—C13—C12167.1 (3)
N2—Bi1—N1—C249.1 (3)C9—N2—C13—C14178.8 (4)
O5—Bi1—N1—C236.2 (4)Bi1—N2—C13—C1412.1 (5)
O2—Bi1—N1—C2178.4 (3)C11—C12—C13—N20.7 (7)
O8i—Bi1—N1—C2161.8 (3)C11—C12—C13—C14178.5 (4)
O9—Bi1—N1—C275.8 (3)Bi1ii—O8—C14—O69.6 (6)
O1—Bi1—N2—C1391.4 (3)Bi1ii—O8—C14—C13170.4 (3)
O6—Bi1—N2—C1310.3 (3)Bi1—O6—C14—O8175.7 (4)
N1—Bi1—N2—C1342.7 (3)Bi1—O6—C14—C134.3 (5)
O5—Bi1—N2—C13179.1 (3)N2—C13—C14—O8174.4 (4)
O2—Bi1—N2—C1341.9 (4)C12—C13—C14—O86.3 (7)
O8i—Bi1—N2—C1399.9 (3)N2—C13—C14—O65.5 (6)
O9—Bi1—N2—C13138.3 (3)C12—C13—C14—O6173.7 (4)
O1—Bi1—N2—C977.5 (3)C16—N4—C15—N6177.1 (4)
O6—Bi1—N2—C9179.3 (3)C16—N4—C15—N34.2 (6)
N1—Bi1—N2—C9126.2 (3)C17—N3—C15—N6175.7 (4)
O5—Bi1—N2—C910.2 (3)C17—N3—C15—N45.5 (6)
O2—Bi1—N2—C9149.1 (3)C17—N5—C16—N7178.9 (4)
O8i—Bi1—N2—C991.2 (3)C17—N5—C16—N41.6 (7)
O9—Bi1—N2—C930.7 (4)C15—N4—C16—N7178.9 (4)
Bi1—O1—C1—O3172.4 (4)C15—N4—C16—N50.6 (7)
Bi1—O1—C1—C28.3 (5)C16—N5—C17—N8179.5 (4)
C6—N1—C2—C30.8 (6)C16—N5—C17—N30.2 (6)
Bi1—N1—C2—C3175.9 (3)C15—N3—C17—N53.2 (6)
C6—N1—C2—C1178.9 (4)C15—N3—C17—N8177.0 (4)
Symmetry codes: (i) x, y1/2, z1/2; (ii) x, y1/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N3—H3N···O7iii0.901.842.686 (5)156
N6—H6A···O4i0.901.992.892 (5)174
N6—H6B···O3iv0.902.513.285 (6)144
N7—H7A···O10.902.173.001 (5)152
N7—H7B···O1v0.902.333.190 (5)160
N8—H8A···O5iii0.901.972.842 (5)162
N8—H8B···O2vi0.902.143.013 (5)162
O9—H9A···N40.852.092.898 (5)159
O9—H9B···O4i0.852.142.810 (5)135
Symmetry codes: (i) x, y1/2, z1/2; (iii) x+1, y, z+2; (iv) x, y, z1; (v) x+1, y, z+3; (vi) x+1, y+1/2, z+5/2.
 

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