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Subtle modifications of N-donor ligands can result in complexes with very different compositions and architectures. In the complex catena-poly[[bis­{1-[(1H-benzotriazol-1-yl)meth­yl]-1H-imidazole-κN3}copper(II)]-μ-benzene-1,3-di­carboxyl­ato-κ3O1,O1′:O3], {[Cu(C8H4O4)(C10H9N5)2(H2O)]·2H2O}n, each CuII ion is six-coordinated by two N atoms from two crystallographically independent 1-[(1H-benzotriazol-1-yl)meth­yl]-1H-imidazole (bmi) ligands, by three O atoms from two symmetry-related benzene-1,3-di­carboxyl­ate (bdic2−) ligands and by one water mol­ecule, leading to a distorted CuN2O4 octa­hedral coordination environment. The CuII ions are connected by bridging bdic2− anions to generate a one-dimensional chain. The bmi ligands coordinate to the CuII ions in monodentate modes and are pendant on opposite sides of the main chain. In the crystal, the chains are linked by O—H...O and O—H...N hydrogen bonds, as well as by π–π inter­actions, into a three-dimensional network. A thermogravimetric analysis was carried out and the fluorescence behaviour of the complex was also investigated.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229617000997/sk3646sup1.cif
Contains datablocks I, Huang

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229617000997/sk3646Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229617000997/sk3646sup3.pdf
Solid-state emission spectra of free ligands H2bdic, bmi and complex (I)

CCDC reference: 1528580

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2004); cell refinement: CrystalClear (Rigaku/MSC, 2004); data reduction: CrystalClear (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: publCIF (Westrip, 2010).

catena-Poly[[bis{1-[(1H-benzotriazol-1-yl)methyl]-1H-1,3-imidazole-κN3}copper(II)]-µ-benzene-1,3-dicarboxylato-κ3O1,O1':O3] top
Crystal data top
[Cu(C8H4O4)(C10H9N5)2(H2O)]·2H2OZ = 2
Mr = 680.14F(000) = 702
Triclinic, P1Dx = 1.524 Mg m3
a = 10.174 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.538 (3) ÅCell parameters from 4516 reflections
c = 13.665 (3) Åθ = 1.9–27.9°
α = 63.45 (3)°µ = 0.80 mm1
β = 77.06 (3)°T = 293 K
γ = 73.02 (3)°Prism, blue
V = 1482.5 (7) Å30.18 × 0.15 × 0.12 mm
Data collection top
Rigaku Saturn
diffractometer
5802 independent reflections
Radiation source: fine-focus sealed tube4596 reflections with I > 2σ(I)
Detector resolution: 28.5714 pixels mm-1Rint = 0.040
ω scansθmax = 26.0°, θmin = 2.1°
Absorption correction: multi-scan
(CrystalClear; Rigaku/MSC, 2004)
h = 1212
Tmin = 0.869, Tmax = 0.910k = 1515
13759 measured reflectionsl = 1615
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.060H-atom parameters constrained
wR(F2) = 0.148 w = 1/[σ2(Fo2) + (0.0708P)2 + 0.7087P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max < 0.001
5802 reflectionsΔρmax = 0.32 e Å3
415 parametersΔρmin = 0.38 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.61160 (4)0.51451 (4)0.75427 (4)0.03293 (16)
N10.6490 (3)0.3776 (3)0.7066 (3)0.0350 (7)
N20.7383 (3)0.2639 (3)0.6135 (3)0.0387 (7)
N30.9097 (4)0.0941 (3)0.5922 (3)0.0482 (9)
N40.8460 (5)0.0029 (4)0.6430 (3)0.0628 (11)
N50.9391 (6)0.1023 (4)0.6806 (4)0.0734 (13)
N60.5758 (3)0.6575 (3)0.7924 (2)0.0338 (7)
N70.4985 (3)0.7864 (3)0.8712 (3)0.0353 (7)
N80.3329 (3)0.9572 (3)0.8948 (3)0.0432 (8)
N90.3863 (4)1.0591 (3)0.8456 (3)0.0610 (11)
N100.2872 (4)1.1535 (3)0.8013 (3)0.0586 (10)
O10.8159 (2)0.4973 (2)0.7517 (2)0.0349 (6)
O20.7436 (2)0.3855 (2)0.9238 (2)0.0401 (6)
O31.3136 (3)0.5510 (2)0.6717 (2)0.0465 (7)
O41.4237 (3)0.4919 (3)0.8185 (2)0.0469 (7)
O50.5480 (3)0.6575 (2)0.5747 (2)0.0516 (7)
H1W0.60550.64890.52170.062*
H2W0.47540.63620.57590.062*
O70.9522 (5)0.5960 (5)0.5384 (4)0.1276 (18)
H5W0.99490.52220.56970.153*
H6W0.89720.60510.59240.153*
C10.8346 (3)0.4340 (3)0.8542 (3)0.0313 (8)
C21.3212 (3)0.5034 (3)0.7728 (3)0.0366 (9)
C30.9705 (3)0.4192 (3)0.8902 (3)0.0307 (8)
C41.0791 (3)0.4666 (3)0.8153 (3)0.0324 (8)
H4A1.06850.50830.74070.039*
C51.2038 (3)0.4517 (3)0.8524 (3)0.0327 (8)
C61.2179 (4)0.3890 (3)0.9636 (3)0.0395 (9)
H6A1.30100.37780.98850.047*
C71.1099 (4)0.3423 (3)1.0392 (3)0.0413 (9)
H7A1.12040.30061.11390.050*
C80.9867 (4)0.3590 (3)1.0014 (3)0.0349 (8)
H8A0.91380.32931.05150.042*
C90.7484 (4)0.3575 (3)0.6326 (3)0.0375 (9)
H9A0.81680.40210.59800.045*
C100.5720 (4)0.2907 (3)0.7367 (3)0.0412 (9)
H10A0.49470.28200.78870.049*
C110.6252 (4)0.2214 (4)0.6803 (4)0.0453 (10)
H11A0.59240.15710.68510.054*
C120.8283 (5)0.2167 (4)0.5360 (3)0.0482 (10)
H12A0.89010.27100.49080.058*
H12B0.77260.21490.48790.058*
C131.0492 (5)0.0515 (4)0.5976 (3)0.0530 (11)
C141.0656 (7)0.0733 (5)0.6546 (4)0.0689 (16)
C151.1968 (8)0.1479 (7)0.6752 (5)0.099 (3)
H15A1.20820.23210.71440.119*
C161.3063 (8)0.0960 (9)0.6375 (7)0.116 (3)
H16A1.39440.14530.64940.139*
C171.2907 (6)0.0308 (9)0.5804 (6)0.103 (2)
H17A1.36900.06370.55530.123*
C181.1600 (5)0.1097 (5)0.5601 (4)0.0693 (14)
H18A1.14820.19420.52440.083*
C190.4855 (3)0.6825 (3)0.8693 (3)0.0315 (8)
H19A0.42210.63580.91560.038*
C200.6513 (4)0.7482 (3)0.7442 (3)0.0426 (9)
H20A0.72320.75350.68770.051*
C210.6034 (4)0.8272 (3)0.7927 (3)0.0434 (9)
H21A0.63570.89620.77600.052*
C220.4225 (4)0.8388 (3)0.9492 (3)0.0431 (9)
H22A0.36700.78351.00480.052*
H22B0.48740.84780.98570.052*
C230.1965 (4)0.9868 (3)0.8811 (3)0.0374 (9)
C240.0958 (4)0.9180 (3)0.9148 (3)0.0409 (9)
H24A0.11610.83350.95360.049*
C250.0344 (5)0.9824 (4)0.8874 (3)0.0494 (10)
H25A0.10450.94020.90750.059*
C260.0654 (5)1.1096 (4)0.8300 (3)0.0513 (11)
H26A0.15591.14960.81480.062*
C270.0323 (5)1.1766 (4)0.7959 (3)0.0504 (11)
H27A0.01071.26100.75690.060*
C280.1675 (5)1.1133 (3)0.8218 (3)0.0435 (10)
O60.7304 (3)0.6158 (3)0.4016 (2)0.0551 (8)
H3W0.71390.68380.34640.066*
H4W0.71710.55710.39270.066*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0176 (2)0.0419 (3)0.0429 (3)0.00510 (17)0.00402 (18)0.0210 (2)
N10.0247 (16)0.0396 (16)0.0404 (18)0.0061 (13)0.0065 (13)0.0153 (14)
N20.0384 (19)0.0379 (17)0.0392 (18)0.0019 (14)0.0078 (15)0.0175 (14)
N30.054 (2)0.049 (2)0.041 (2)0.0012 (17)0.0043 (17)0.0236 (16)
N40.077 (3)0.053 (2)0.060 (3)0.015 (2)0.002 (2)0.026 (2)
N50.103 (4)0.051 (2)0.061 (3)0.005 (2)0.008 (3)0.027 (2)
N60.0246 (15)0.0356 (16)0.0395 (18)0.0069 (12)0.0063 (13)0.0124 (14)
N70.0312 (17)0.0312 (15)0.0394 (18)0.0024 (13)0.0046 (14)0.0134 (13)
N80.042 (2)0.0306 (16)0.053 (2)0.0100 (14)0.0033 (16)0.0165 (15)
N90.051 (2)0.042 (2)0.081 (3)0.0171 (18)0.011 (2)0.023 (2)
N100.056 (2)0.0306 (18)0.073 (3)0.0100 (17)0.006 (2)0.0131 (17)
O10.0197 (12)0.0446 (14)0.0396 (15)0.0071 (10)0.0049 (11)0.0157 (12)
O20.0238 (13)0.0505 (15)0.0409 (15)0.0162 (12)0.0013 (11)0.0117 (12)
O30.0281 (14)0.0560 (17)0.0495 (18)0.0137 (12)0.0024 (13)0.0146 (14)
O40.0186 (13)0.0776 (19)0.0615 (19)0.0153 (13)0.0021 (12)0.0434 (16)
O50.0516 (18)0.0569 (17)0.0442 (17)0.0132 (14)0.0007 (14)0.0202 (14)
O70.114 (4)0.156 (4)0.102 (4)0.071 (4)0.041 (3)0.042 (3)
C10.0203 (17)0.0334 (18)0.044 (2)0.0055 (14)0.0029 (16)0.0195 (17)
C20.0181 (17)0.041 (2)0.058 (3)0.0040 (15)0.0016 (17)0.0287 (19)
C30.0243 (18)0.0305 (17)0.039 (2)0.0056 (14)0.0053 (15)0.0147 (15)
C40.0245 (18)0.0358 (18)0.038 (2)0.0053 (14)0.0060 (15)0.0162 (16)
C50.0218 (17)0.0323 (18)0.049 (2)0.0045 (14)0.0042 (16)0.0222 (17)
C60.0257 (19)0.041 (2)0.055 (3)0.0036 (15)0.0161 (18)0.0194 (19)
C70.040 (2)0.039 (2)0.045 (2)0.0115 (17)0.0136 (18)0.0114 (17)
C80.0298 (19)0.0344 (18)0.042 (2)0.0100 (15)0.0029 (16)0.0151 (16)
C90.031 (2)0.0352 (19)0.040 (2)0.0081 (15)0.0039 (17)0.0093 (17)
C100.028 (2)0.041 (2)0.055 (3)0.0097 (16)0.0042 (18)0.0190 (19)
C110.036 (2)0.045 (2)0.064 (3)0.0109 (18)0.007 (2)0.028 (2)
C120.057 (3)0.046 (2)0.038 (2)0.002 (2)0.007 (2)0.0196 (19)
C130.060 (3)0.059 (3)0.040 (2)0.005 (2)0.008 (2)0.030 (2)
C140.093 (4)0.061 (3)0.041 (3)0.020 (3)0.013 (3)0.031 (2)
C150.109 (6)0.111 (5)0.059 (4)0.054 (4)0.037 (4)0.053 (4)
C160.091 (6)0.159 (8)0.090 (5)0.058 (5)0.044 (5)0.082 (6)
C170.057 (4)0.185 (8)0.088 (5)0.005 (4)0.008 (3)0.088 (5)
C180.055 (3)0.096 (4)0.063 (3)0.005 (3)0.006 (3)0.045 (3)
C190.0243 (18)0.0318 (18)0.035 (2)0.0068 (14)0.0054 (15)0.0093 (15)
C200.034 (2)0.043 (2)0.043 (2)0.0102 (17)0.0038 (18)0.0131 (18)
C210.038 (2)0.038 (2)0.051 (2)0.0128 (17)0.0001 (19)0.0144 (19)
C220.049 (2)0.035 (2)0.043 (2)0.0037 (17)0.0064 (19)0.0167 (17)
C230.045 (2)0.0341 (19)0.032 (2)0.0078 (16)0.0037 (17)0.0161 (16)
C240.048 (2)0.039 (2)0.039 (2)0.0109 (18)0.0052 (18)0.0172 (17)
C250.053 (3)0.059 (3)0.045 (2)0.018 (2)0.005 (2)0.027 (2)
C260.052 (3)0.059 (3)0.038 (2)0.003 (2)0.014 (2)0.021 (2)
C270.061 (3)0.039 (2)0.039 (2)0.001 (2)0.003 (2)0.0140 (18)
C280.054 (3)0.033 (2)0.038 (2)0.0103 (18)0.0055 (19)0.0142 (17)
O60.061 (2)0.0498 (17)0.0498 (18)0.0127 (14)0.0056 (15)0.0163 (14)
Geometric parameters (Å, º) top
Cu1—O4i1.962 (3)C5—C61.382 (5)
Cu1—N61.997 (3)C6—C71.395 (5)
Cu1—N12.006 (3)C6—H6A0.9300
Cu1—O12.020 (2)C7—C81.386 (5)
Cu1—O52.399 (3)C7—H7A0.9300
N1—C91.315 (5)C8—H8A0.9300
N1—C101.387 (4)C9—H9A0.9300
N2—C91.346 (5)C10—C111.335 (6)
N2—C111.376 (5)C10—H10A0.9300
N2—C121.456 (5)C11—H11A0.9300
N3—C131.369 (6)C12—H12A0.9700
N3—N41.374 (5)C12—H12B0.9700
N3—C121.457 (5)C13—C141.378 (6)
N4—N51.293 (6)C13—C181.398 (7)
N5—C141.366 (7)C14—C151.393 (8)
N6—C191.320 (5)C15—C161.340 (10)
N6—C201.389 (5)C15—H15A0.9300
N7—C191.359 (4)C16—C171.400 (10)
N7—C211.367 (5)C16—H16A0.9300
N7—C221.458 (5)C17—C181.405 (8)
N8—C231.361 (5)C17—H17A0.9300
N8—N91.362 (4)C18—H18A0.9300
N8—C221.454 (5)C19—H19A0.9300
N9—N101.311 (5)C20—C211.349 (5)
N10—C281.376 (5)C20—H20A0.9300
O1—C11.290 (4)C21—H21A0.9300
O2—C11.244 (4)C22—H22A0.9700
O3—C21.247 (5)C22—H22B0.9700
O4—C21.274 (4)C23—C281.395 (5)
O4—Cu1ii1.962 (3)C23—C241.398 (5)
O5—H1W0.8500C24—C251.369 (6)
O5—H2W0.8499C24—H24A0.9300
O7—H5W0.8500C25—C261.399 (6)
O7—H6W0.8501C25—H25A0.9300
C1—C31.504 (5)C26—C271.357 (6)
C2—C51.507 (5)C26—H26A0.9300
C3—C81.386 (5)C27—C281.406 (6)
C3—C41.398 (5)C27—H27A0.9300
C4—C51.403 (5)O6—H3W0.8500
C4—H4A0.9300O6—H4W0.8499
O4i—Cu1—N689.75 (12)C11—C10—N1110.0 (4)
O4i—Cu1—N191.80 (12)C11—C10—H10A125.0
N6—Cu1—N1176.62 (12)N1—C10—H10A125.0
O4i—Cu1—O1157.13 (11)C10—C11—N2106.4 (3)
N6—Cu1—O188.35 (11)C10—C11—H11A126.8
N1—Cu1—O191.38 (11)N2—C11—H11A126.8
O4i—Cu1—O595.31 (12)N2—C12—N3111.8 (3)
N6—Cu1—O587.41 (11)N2—C12—H12A109.3
N1—Cu1—O589.46 (11)N3—C12—H12A109.3
O1—Cu1—O5107.36 (11)N2—C12—H12B109.3
C9—N1—C10105.3 (3)N3—C12—H12B109.3
C9—N1—Cu1126.2 (3)H12A—C12—H12B107.9
C10—N1—Cu1128.3 (3)N3—C13—C14104.4 (5)
C9—N2—C11107.1 (3)N3—C13—C18132.8 (4)
C9—N2—C12126.9 (3)C14—C13—C18122.8 (5)
C11—N2—C12126.0 (3)N5—C14—C13109.1 (5)
C13—N3—N4109.2 (4)N5—C14—C15130.6 (6)
C13—N3—C12131.1 (4)C13—C14—C15120.3 (7)
N4—N3—C12119.5 (4)C16—C15—C14118.7 (7)
N5—N4—N3108.5 (4)C16—C15—H15A120.6
N4—N5—C14108.8 (4)C14—C15—H15A120.6
C19—N6—C20106.5 (3)C15—C16—C17121.4 (7)
C19—N6—Cu1128.8 (2)C15—C16—H16A119.3
C20—N6—Cu1124.6 (3)C17—C16—H16A119.3
C19—N7—C21107.7 (3)C16—C17—C18121.8 (7)
C19—N7—C22126.0 (3)C16—C17—H17A119.1
C21—N7—C22126.1 (3)C18—C17—H17A119.1
C23—N8—N9110.4 (3)C13—C18—C17114.9 (6)
C23—N8—C22130.1 (3)C13—C18—H18A122.6
N9—N8—C22119.5 (3)C17—C18—H18A122.6
N10—N9—N8108.3 (4)N6—C19—N7110.1 (3)
N9—N10—C28108.6 (3)N6—C19—H19A125.0
C1—O1—Cu1102.2 (2)N7—C19—H19A125.0
C2—O4—Cu1ii130.1 (3)C21—C20—N6108.9 (3)
Cu1—O5—H1W114.8C21—C20—H20A125.6
Cu1—O5—H2W99.4N6—C20—H20A125.6
H1W—O5—H2W108.6C20—C21—N7106.9 (3)
H5W—O7—H6W100.7C20—C21—H21A126.6
O2—C1—O1122.0 (3)N7—C21—H21A126.6
O2—C1—C3119.3 (3)N8—C22—N7111.6 (3)
O1—C1—C3118.7 (3)N8—C22—H22A109.3
O3—C2—O4125.5 (3)N7—C22—H22A109.3
O3—C2—C5120.4 (3)N8—C22—H22B109.3
O4—C2—C5114.1 (4)N7—C22—H22B109.3
C8—C3—C4119.3 (3)H22A—C22—H22B108.0
C8—C3—C1118.7 (3)N8—C23—C28104.4 (3)
C4—C3—C1122.0 (3)N8—C23—C24133.2 (3)
C3—C4—C5120.2 (3)C28—C23—C24122.4 (4)
C3—C4—H4A119.9C25—C24—C23116.1 (4)
C5—C4—H4A119.9C25—C24—H24A122.0
C6—C5—C4119.1 (3)C23—C24—H24A122.0
C6—C5—C2120.1 (3)C24—C25—C26122.0 (4)
C4—C5—C2120.8 (3)C24—C25—H25A119.0
C5—C6—C7121.2 (3)C26—C25—H25A119.0
C5—C6—H6A119.4C27—C26—C25122.1 (4)
C7—C6—H6A119.4C27—C26—H26A118.9
C8—C7—C6119.0 (4)C25—C26—H26A118.9
C8—C7—H7A120.5C26—C27—C28117.4 (4)
C6—C7—H7A120.5C26—C27—H27A121.3
C3—C8—C7121.1 (3)C28—C27—H27A121.3
C3—C8—H8A119.4N10—C28—C23108.4 (4)
C7—C8—H8A119.4N10—C28—C27131.6 (4)
N1—C9—N2111.2 (3)C23—C28—C27120.0 (4)
N1—C9—H9A124.4H3W—O6—H4W112.9
N2—C9—H9A124.4
C13—N3—N4—N50.9 (5)C12—N3—C13—C186.1 (8)
C12—N3—N4—N5175.8 (4)N4—N5—C14—C130.0 (5)
N3—N4—N5—C140.5 (5)N4—N5—C14—C15178.8 (5)
C23—N8—N9—N100.5 (5)N3—C13—C14—N50.6 (5)
C22—N8—N9—N10179.1 (4)C18—C13—C14—N5179.6 (4)
N8—N9—N10—C280.1 (5)N3—C13—C14—C15179.5 (4)
Cu1—O1—C1—O210.0 (4)C18—C13—C14—C151.4 (7)
Cu1—O1—C1—C3169.7 (2)N5—C14—C15—C16177.9 (6)
Cu1ii—O4—C2—O311.9 (6)C13—C14—C15—C160.8 (8)
Cu1ii—O4—C2—C5167.2 (2)C14—C15—C16—C171.4 (10)
O2—C1—C3—C84.5 (5)C15—C16—C17—C180.1 (10)
O1—C1—C3—C8175.3 (3)N3—C13—C18—C17178.5 (5)
O2—C1—C3—C4177.0 (3)C14—C13—C18—C172.8 (7)
O1—C1—C3—C43.2 (5)C16—C17—C18—C132.1 (8)
C8—C3—C4—C51.0 (5)C20—N6—C19—N71.0 (4)
C1—C3—C4—C5179.5 (3)Cu1—N6—C19—N7177.4 (2)
C3—C4—C5—C60.4 (5)C21—N7—C19—N60.9 (4)
C3—C4—C5—C2179.4 (3)C22—N7—C19—N6176.0 (3)
O3—C2—C5—C6174.0 (3)C19—N6—C20—C210.6 (4)
O4—C2—C5—C65.2 (5)Cu1—N6—C20—C21177.3 (3)
O3—C2—C5—C46.3 (5)N6—C20—C21—N70.1 (4)
O4—C2—C5—C4174.5 (3)C19—N7—C21—C200.5 (4)
C4—C5—C6—C71.0 (5)C22—N7—C21—C20175.6 (3)
C2—C5—C6—C7178.8 (3)C23—N8—C22—N794.9 (5)
C5—C6—C7—C80.3 (6)N9—N8—C22—N783.4 (4)
C4—C3—C8—C71.7 (5)C19—N7—C22—N8115.3 (4)
C1—C3—C8—C7179.7 (3)C21—N7—C22—N870.4 (5)
C6—C7—C8—C31.1 (6)N9—N8—C23—C280.9 (4)
C10—N1—C9—N20.5 (4)C22—N8—C23—C28179.2 (4)
Cu1—N1—C9—N2175.1 (2)N9—N8—C23—C24179.9 (4)
C11—N2—C9—N10.4 (4)C22—N8—C23—C241.8 (7)
C12—N2—C9—N1179.0 (3)N8—C23—C24—C25178.1 (4)
C9—N1—C10—C110.5 (4)C28—C23—C24—C250.8 (6)
Cu1—N1—C10—C11175.0 (3)C23—C24—C25—C260.7 (6)
N1—C10—C11—N20.3 (4)C24—C25—C26—C271.6 (6)
C9—N2—C11—C100.0 (4)C25—C26—C27—C280.9 (6)
C12—N2—C11—C10179.4 (3)N9—N10—C28—C230.7 (5)
C9—N2—C12—N3112.3 (4)N9—N10—C28—C27177.8 (4)
C11—N2—C12—N368.4 (5)N8—C23—C28—N100.9 (4)
C13—N3—C12—N2114.4 (5)C24—C23—C28—N10179.9 (4)
N4—N3—C12—N272.0 (5)N8—C23—C28—C27177.7 (4)
N4—N3—C13—C140.9 (4)C24—C23—C28—C271.4 (6)
C12—N3—C13—C14175.0 (4)C26—C27—C28—N10178.8 (4)
N4—N3—C13—C18179.8 (5)C26—C27—C28—C230.5 (6)
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H1W···O60.851.962.808 (4)174
O7—H6W···O10.852.112.814 (5)139
O5—H2W···O3i0.852.092.844 (4)147
O7—H5W···O7iii0.852.412.876 (11)115
O6—H3W···N10iv0.852.132.973 (5)169
O6—H4W···O3iii0.852.042.864 (4)165
Symmetry codes: (i) x1, y, z; (iii) x+2, y+1, z+1; (iv) x+1, y+2, z+1.
 

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