research communications
Synthesis and structure of pentakis(2-aminopyridinium) nonavanado(V)tellurate(VI)
aLaboratory of Materials Chemistry (LR13ES08), Faculty of Sciences of Bizerte, University of Carthage, 7021 Zarzouna, Bizerte, Tunisia
*Correspondence e-mail: sameh.akriche@fsb.ucar.tn
In the title compound, (C5H7N2)5[TeV9O28], the tellurium and vanadium atoms are statistically disordered over two of the ten metal-atom sites in the [TeV9O28]5– heteropolyanion. The anions stack along [100] and are extended into a three-dimensional supramolecular network through N—H⋯O and weak C—H⋯O hydrogen bonds involving the self-assembled 2-aminopyridinium pentamers, which are linked by C—H⋯π and π–π stacking interactions. The most important contributions to the Hirshfeld surface arise from O⋯H/H⋯O (54.8%), H⋯H (17.8%) and C⋯H/H⋯C (13.4%) contacts.
Keywords: crystal structure; Hirshfeld surface; polyoxometalate; nonavanado(V)tellurate(VI); 2-aminopyridine; non-covalent interactions.
CCDC reference: 2333283
1. Chemical context
Tellurium(VI) often occurs as a central octahedral heteroatom in polyoxometalates (POMs) but TeVI is rarely seen in decavanadate (V10) structures: just two vanadotellurates with a decavanadate structure have been reported, viz. the monosubstituted tellurium derivative [HxTeV9O28](5–x)– described by Konaka et al. (2011) and the disubstituted species [Te2V9O28]4– reported by our group in the form of its quinolinium salt (Toumi et al., 2013). Moreover, aminopyridine derivatives are commonly used as counter-cations in POMs owing to the easy protonation of their N atoms and their high structural stability (Maalaoui et al., 2013, 2024; Yuan et al., 2009). Here we report the synthesis, structure and Hirshfeld surface analyses of the first unprotonated nonavanado(V)tellurate(VI) cluster, [TeV9O28]5–, crystallized as its anhydrous 2-aminopyridinium salt, (C5H7N2)5[TeV9O28], (I).
2. Structural commentary
The consists of one unprotonated [TeV9O28]5– heteropolyanion and five 2-aminopyridinium counter-cations as depicted in Fig. 1. The structure of the heteropolyanion in (I) belongs to the decavanadate structure type (Lee, 2006), but with tellurium replacing one of the vanadium atoms. The Te heteroatom is statistically distributed over the Te1/V9 and Te2/V10 sites in the title compound. This observation is consistent with the structures reported by Konaka et al. (2011) in TBA3[H2TeV9O28] and TBA4[HTeV9O28]·2CH3CN (TBA = tetrabutyl ammonium). In the [TeV9O28]5– polyanion in (I), the VO6 octahedra are significantly distorted [range of V—O bond lengths = 1.595 (4)– 2.429 (4) Å] whereas the TeO6 substituted octahedra [Te/V—O ranges 1.769 (4)–2.063 (4) Å] are less distorted in comparison with the VO6 octahedra. The bond-valence sums (BVS; Brown & Altermatt, 1985) for Te1 and Te2 are +6.33 and +6.39 v.u. (v.u. = valence units), whereas those for the V cations are in the range +5.17 v.u. to +5.26 v.u., which are consistent with the oxidation states of Te (+VI) and V (+V). An examination of the 2–aminopyridinium cations show that the bond distances and angles are in accordance with those in analogous salts such as (C5H7N2)6[V10O28]·2H2O, (Yuan et al., 2009), (C5H7N2)2 [ReVW4O19]·7H2O (Maaloui et al., 2013) and (C5H7N2)5[PV2W10O40]·0.5(C5H5N)·2H2O (Maaloui et al., 2024).
of (I)3. Supramolecular features
In the extended structure, all the hydrogen-bond donors are provided by the five 2-aminopyridinium cations as the polyanion is unprotonated. Each cation donates hydrogen bonds to the terminal and bridging O atoms of the polyanions stacked along [100] at z = 1/4 and 3/4 by means of N—H⋯O and weak C—H⋯O interactions, giving rise to a three-dimensional supramolecular network (Fig. 2 and Table 1). Furthermore, the 2-aminopyridinium moieties are themselves connected by weak C—H⋯π [C10—H10⋯Cg1 = 3.066 Å, C18—H18⋯Cg5iv = 2.659 Å; symmetry code: (iv) x, − y, + z; Table 1] and π–π stacking interactions between the R2/R4 and R4/R3 pyridyl rings [R1 = N1/C1–C5 (centroid Cg1), R2 = N3/C6–C10 (centroid Cg2), R3 = N5/C11–C15 (centroid Cg3), R4 = N7/C16–C20 (centroid Cg4), R5 = N9/C21–C25 (centroid Cg5)] stacked in parallel displaced face-to-face arrangements with centroid–centroid distances of 3.724 (2) and 3.829 (2) Å, respectively (Fig. 3), within the accepted rangesfor C—H⋯π and π–π stacking interactions (Janiak (2000).
4. Hirshfeld surface analysis
Fig. 4(a) illustrates the Hirshfeld surface of (I) mapped over dnorm with red spots corresponding to short inter-contacts. The red, triangular concave regions in the Hirshfeld surface mapped with shape index [Fig. 4(b)], confirm the existence of the π–π stacking interactions mentioned above. The fingerprint plots (Fig. 5) indicate that the major contact contributions to the are from O⋯H/H⋯O (54.8%), H⋯H (17.8%) and C⋯H/H⋯C (13.4%) whereas the contributions of the remaining contacts [N⋯H/H⋯N (4.7%), O⋯C/C⋯O (2.6%), C⋯C (2.3%), O⋯O (1.6%)] are very small. The characteristic spikes in the O⋯H/H⋯O plot [Fig. 5(a)] indicate the existence of the N—H⋯O and C—H⋯O hydrogen bonds (Table 1).
5. Database survey
Related vanadotellurates with the decavanadate structure type include TBA4[HTeV9O28]·2CH3CN and TBA3[H2TeV9O28] (TBA = tetra-n-butylammonium) (Konaka et al., 2011) and (C9H8N)4[Te2V8O28]·8H2O (Toumi et al., 2013). Related nonavanadoplatinate(IV) clusters include Na9[H2PtV9O28][H3PtV9O28]·40H2O (Joo et al., 2015), Na5[H2PtV9O28]·21H2O (Lee et al., 2008), (CH6N3)5[H2PtV9O28] (Joo et al., 2011) and K5[H2PtV9O28]·9H2O (Joo & Lee, 2015). For the related structures of aminopyridinium containing polyoxometalates (C5H7N2)6[V10O28]·2H2O, see: Yuan et al. (2009); (C5H7N2)2[ReVW4O19]·7H2O, see: Maaloui et al. (2013) and (C5H7N2)5[PV2W10O40]·0.5(C5H5N)·2H2O, see: Maaloui et al. (2024).
6. Synthesis and crystallization
Vanadium(V) oxide (1.26 g, 6.93 mmol), 2-aminopyridine (0.59 g, 6.16 mmol) and telluric acid, Te(OH)6 (0.36 g, 1.55 mmol) were suspended in 50 ml of distilled water. Then the pH value of the mixture was adjusted to 6 with 3 M hydrochloric acid (HCl) and stirred for 3 h. After one week, yellow prismatic single crystals were grown by slow evaporation at room temperature.
7. Refinement
Crystal data, data collection and structure . All H-atoms were positioned with idealized geometry and refined using a riding model with C—H = 0.93 Å and Uiso(H) = 1.2Ueq(C) and N—H = 0.86 Å and Uiso(H) = 1.2Ueq(N).
details are summarized in Table 2
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Supporting information
CCDC reference: 2333283
https://doi.org/10.1107/S2056989024010533/hb8109sup1.cif
contains datablock I. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2056989024010533/hb8109Isup3.hkl
(C5H7N2)5[TeV9O28] | F(000) = 2952 |
Mr = 1509.69 | Dx = 2.238 Mg m−3 |
Monoclinic, P21/c | Ag Kα radiation, λ = 0.56087 Å |
a = 11.661 (2) Å | Cell parameters from 25 reflections |
b = 23.251 (2) Å | θ = 9–11° |
c = 19.602 (3) Å | µ = 1.31 mm−1 |
β = 122.53 (1)° | T = 293 K |
V = 4481.1 (12) Å3 | Prism, yellow |
Z = 4 | 0.25 × 0.19 × 0.13 mm |
Enraf–Nonius CAD-4 diffractometer | 10265 reflections with I > 2σ(I) |
Radiation source: Enraf Nonius FR590 | Rint = 0.048 |
Graphite monochromator | θmax = 28.0°, θmin = 2.1° |
non–profiled ω scans | h = −19→19 |
Absorption correction: multi-scan (Blessing, 1995) | k = −38→1 |
Tmin = 0.745, Tmax = 0.807 | l = −21→32 |
25752 measured reflections | 2 standard reflections every 120 min |
21889 independent reflections | intensity decay: −2% |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.076 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.211 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0646P)2 + 23.768P] where P = (Fo2 + 2Fc2)/3 |
21889 reflections | (Δ/σ)max < 0.001 |
658 parameters | Δρmax = 1.19 e Å−3 |
0 restraints | Δρmin = −1.74 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
V1 | −0.04965 (9) | 0.09075 (4) | 0.20903 (6) | 0.02450 (19) | |
V2 | 0.08300 (10) | 0.20810 (4) | 0.20870 (6) | 0.02400 (19) | |
V3 | 0.10819 (10) | 0.16241 (4) | 0.36755 (6) | 0.02479 (19) | |
V4 | 0.22827 (9) | 0.04297 (4) | 0.35456 (6) | 0.02207 (18) | |
V5 | 0.33925 (9) | 0.20776 (4) | 0.19507 (6) | 0.02098 (18) | |
V6 | 0.48299 (9) | 0.04162 (4) | 0.33892 (6) | 0.02189 (18) | |
V7 | 0.45911 (10) | 0.09044 (4) | 0.18122 (6) | 0.02306 (18) | |
V8 | 0.61987 (9) | 0.15934 (4) | 0.34255 (6) | 0.02428 (19) | |
Te1 | 0.20032 (5) | 0.08920 (2) | 0.19110 (3) | 0.02224 (11) | 0.5 |
V9 | 0.20032 (5) | 0.08920 (2) | 0.19110 (3) | 0.02224 (11) | 0.5 |
Te2 | 0.36502 (5) | 0.16117 (2) | 0.35539 (3) | 0.01968 (10) | 0.5 |
V10 | 0.36502 (5) | 0.16117 (2) | 0.35539 (3) | 0.01968 (10) | 0.5 |
O1C | 0.1777 (4) | 0.12502 (15) | 0.2795 (2) | 0.0194 (7) | |
O2C | 0.3881 (4) | 0.12507 (15) | 0.2679 (2) | 0.0184 (7) | |
O1E | −0.1978 (4) | 0.0632 (2) | 0.1558 (3) | 0.0345 (10) | |
O2E | 0.0345 (4) | 0.26655 (19) | 0.1575 (3) | 0.0334 (10) | |
O3E | 0.0777 (5) | 0.18882 (19) | 0.4322 (3) | 0.0349 (10) | |
O4E | 0.2796 (4) | −0.01547 (18) | 0.4051 (3) | 0.0291 (9) | |
O5E | 0.2880 (4) | 0.26650 (18) | 0.1446 (3) | 0.0303 (9) | |
O6E | 0.5314 (4) | −0.01715 (18) | 0.3887 (3) | 0.0323 (9) | |
O7E | 0.4904 (5) | 0.0649 (2) | 0.1165 (3) | 0.0331 (10) | |
O8E | 0.7705 (4) | 0.1847 (2) | 0.3991 (3) | 0.0351 (10) | |
O1 | −0.0473 (4) | 0.12517 (18) | 0.2928 (3) | 0.0279 (8) | |
O2 | −0.0658 (4) | 0.16167 (18) | 0.1600 (3) | 0.0281 (8) | |
O3 | 0.6150 (4) | 0.12598 (17) | 0.2562 (2) | 0.0253 (8) | |
O4 | 0.0704 (4) | 0.22175 (17) | 0.2957 (3) | 0.0274 (8) | |
O5 | 0.0520 (4) | 0.02864 (17) | 0.2764 (2) | 0.0252 (8) | |
O6 | 0.1898 (4) | 0.09013 (18) | 0.4131 (2) | 0.0254 (8) | |
O7 | 0.3775 (4) | 0.16162 (17) | 0.1356 (2) | 0.0238 (8) | |
O8 | 0.5151 (4) | 0.22191 (17) | 0.2729 (2) | 0.0241 (8) | |
O9 | 0.6298 (4) | 0.08877 (17) | 0.3882 (2) | 0.0250 (8) | |
O10 | 0.4971 (4) | 0.02920 (17) | 0.2523 (2) | 0.0242 (8) | |
O11 | 0.4076 (4) | 0.08450 (16) | 0.3978 (2) | 0.0201 (7) | |
O12 | 0.2858 (4) | 0.22228 (15) | 0.2773 (2) | 0.0207 (7) | |
O13 | 0.2804 (4) | 0.02707 (16) | 0.2701 (2) | 0.0196 (7) | |
O14 | 0.1581 (4) | 0.16667 (16) | 0.1492 (2) | 0.0218 (7) | |
O15 | 0.0311 (4) | 0.06384 (17) | 0.1429 (2) | 0.0250 (8) | |
O16 | 0.3056 (4) | 0.18699 (17) | 0.4170 (2) | 0.0258 (8) | |
O17 | 0.5353 (4) | 0.18601 (17) | 0.4046 (2) | 0.0244 (8) | |
O18 | 0.2607 (4) | 0.06431 (17) | 0.1304 (2) | 0.0259 (8) | |
N1 | −0.0124 (6) | 0.0239 (3) | 0.5776 (4) | 0.0454 (15) | |
H1 | −0.0643 | −0.0021 | 0.5783 | 0.055* | |
N2 | 0.1895 (7) | −0.0268 (3) | 0.6727 (4) | 0.0466 (16) | |
H2A | 0.1414 | −0.0544 | 0.6739 | 0.056* | |
H2B | 0.2768 | −0.0288 | 0.7019 | 0.056* | |
C1 | 0.1300 (6) | 0.0180 (3) | 0.6268 (4) | 0.0304 (12) | |
C2 | 0.2068 (7) | 0.0636 (3) | 0.6223 (4) | 0.0385 (15) | |
H2 | 0.3013 | 0.0623 | 0.6537 | 0.046* | |
C3 | 0.1435 (9) | 0.1084 (3) | 0.5729 (5) | 0.0475 (18) | |
H3 | 0.1952 | 0.1377 | 0.5701 | 0.057* | |
C4 | 0.0094 (7) | 0.1119 (3) | 0.5281 (4) | 0.0350 (14) | |
H4 | −0.0318 | 0.1438 | 0.4950 | 0.042* | |
C5 | −0.0669 (7) | 0.0704 (4) | 0.5297 (4) | 0.0445 (18) | |
H5 | −0.1611 | 0.0735 | 0.4968 | 0.053* | |
N3 | 0.2068 (7) | 0.1563 (3) | 0.8399 (4) | 0.0481 (16) | |
H3A | 0.2313 | 0.1862 | 0.8249 | 0.058* | |
N4 | 0.3077 (6) | 0.1934 (2) | 0.9747 (3) | 0.0378 (13) | |
H4A | 0.3277 | 0.1892 | 1.0236 | 0.045* | |
H4B | 0.3303 | 0.2243 | 0.9609 | 0.045* | |
C6 | 0.2417 (6) | 0.1519 (3) | 0.9207 (4) | 0.0293 (12) | |
C7 | 0.2030 (7) | 0.1005 (3) | 0.9413 (4) | 0.0332 (13) | |
H7 | 0.2255 | 0.0945 | 0.9940 | 0.040* | |
C8 | 0.1334 (7) | 0.0602 (3) | 0.8843 (5) | 0.0390 (15) | |
H8 | 0.1085 | 0.0266 | 0.8987 | 0.047* | |
C9 | 0.0989 (6) | 0.0666 (2) | 0.8084 (4) | 0.0284 (11) | |
H9 | 0.0495 | 0.0379 | 0.7708 | 0.034* | |
C10 | 0.1343 (8) | 0.1138 (3) | 0.7853 (5) | 0.0451 (17) | |
H10 | 0.1096 | 0.1177 | 0.7318 | 0.054* | |
N5 | 0.5217 (7) | 0.0852 (3) | 0.8616 (4) | 0.0536 (17) | |
H5A | 0.4945 | 0.0536 | 0.8348 | 0.064* | |
N6 | 0.6012 (8) | 0.0360 (3) | 0.9866 (4) | 0.057 (2) | |
H6A | 0.6405 | 0.0363 | 1.0384 | 0.068* | |
H6B | 0.5752 | 0.0040 | 0.9606 | 0.068* | |
C11 | 0.5809 (7) | 0.0847 (3) | 0.9469 (4) | 0.0351 (14) | |
C12 | 0.6208 (8) | 0.1373 (3) | 0.9858 (5) | 0.0483 (19) | |
H12 | 0.6587 | 0.1394 | 1.0413 | 0.058* | |
C13 | 0.6045 (9) | 0.1859 (3) | 0.9429 (5) | 0.054 (2) | |
H13 | 0.6326 | 0.2210 | 0.9697 | 0.065* | |
C14 | 0.5497 (7) | 0.1844 (3) | 0.8637 (4) | 0.0382 (15) | |
H14 | 0.5397 | 0.2183 | 0.8358 | 0.046* | |
C15 | 0.5084 (8) | 0.1344 (3) | 0.8233 (5) | 0.0474 (18) | |
H15 | 0.4699 | 0.1341 | 0.7677 | 0.057* | |
N7 | 0.9043 (7) | 0.1101 (3) | 0.9559 (4) | 0.0486 (16) | |
H7A | 0.9288 | 0.1059 | 1.0056 | 0.058* | |
N8 | 0.9909 (7) | 0.2065 (3) | 0.9791 (4) | 0.0481 (16) | |
H8A | 1.0041 | 0.2383 | 0.9620 | 0.058* | |
H8B | 1.0190 | 0.2025 | 1.0294 | 0.058* | |
C16 | 0.9275 (7) | 0.1637 (3) | 0.9281 (4) | 0.0342 (13) | |
C17 | 0.8790 (8) | 0.1676 (3) | 0.8452 (4) | 0.0428 (17) | |
H17 | 0.8876 | 0.2017 | 0.8236 | 0.051* | |
C18 | 0.8194 (8) | 0.1207 (3) | 0.7970 (4) | 0.0479 (19) | |
H18 | 0.7905 | 0.1229 | 0.7427 | 0.057* | |
C19 | 0.8012 (7) | 0.0718 (3) | 0.8253 (4) | 0.0350 (14) | |
H19 | 0.7582 | 0.0410 | 0.7902 | 0.042* | |
C20 | 0.8432 (7) | 0.0662 (3) | 0.9024 (5) | 0.0415 (16) | |
H20 | 0.8306 | 0.0313 | 0.9206 | 0.050* | |
N9 | 0.5489 (7) | 0.2953 (3) | 0.1326 (5) | 0.058 (2) | |
H9A | 0.5021 | 0.2796 | 0.1497 | 0.070* | |
N10 | 0.7082 (7) | 0.2180 (3) | 0.1817 (4) | 0.0533 (17) | |
H10A | 0.6639 | 0.2009 | 0.1995 | 0.064* | |
H10B | 0.7802 | 0.2024 | 0.1880 | 0.064* | |
C21 | 0.6657 (6) | 0.2680 (3) | 0.1446 (4) | 0.0305 (12) | |
C22 | 0.7364 (7) | 0.2980 (3) | 0.1143 (5) | 0.0393 (15) | |
H22 | 0.8148 | 0.2823 | 0.1203 | 0.047* | |
C23 | 0.6885 (8) | 0.3491 (3) | 0.0767 (4) | 0.0427 (17) | |
H23 | 0.7332 | 0.3673 | 0.0552 | 0.051* | |
C24 | 0.5814 (6) | 0.3742 (2) | 0.0694 (4) | 0.0313 (13) | |
H24 | 0.5564 | 0.4109 | 0.0474 | 0.038* | |
C25 | 0.5100 (7) | 0.3475 (3) | 0.0933 (5) | 0.0457 (18) | |
H25 | 0.4301 | 0.3645 | 0.0832 | 0.055* |
U11 | U22 | U33 | U12 | U13 | U23 | |
V1 | 0.0177 (4) | 0.0258 (5) | 0.0284 (5) | −0.0012 (4) | 0.0114 (4) | 0.0006 (4) |
V2 | 0.0217 (4) | 0.0225 (4) | 0.0293 (5) | 0.0046 (3) | 0.0147 (4) | 0.0060 (4) |
V3 | 0.0289 (5) | 0.0225 (4) | 0.0302 (5) | 0.0015 (4) | 0.0207 (4) | −0.0011 (4) |
V4 | 0.0231 (4) | 0.0190 (4) | 0.0253 (4) | 0.0007 (3) | 0.0138 (4) | 0.0040 (3) |
V5 | 0.0199 (4) | 0.0195 (4) | 0.0237 (4) | −0.0004 (3) | 0.0119 (4) | 0.0035 (3) |
V6 | 0.0195 (4) | 0.0201 (4) | 0.0254 (4) | 0.0027 (3) | 0.0116 (4) | 0.0030 (3) |
V7 | 0.0223 (4) | 0.0253 (4) | 0.0239 (4) | 0.0002 (4) | 0.0141 (4) | −0.0024 (4) |
V8 | 0.0174 (4) | 0.0250 (5) | 0.0267 (5) | −0.0020 (3) | 0.0094 (4) | −0.0028 (4) |
Te1 | 0.0202 (2) | 0.0230 (2) | 0.0224 (2) | −0.00086 (19) | 0.0107 (2) | −0.0001 (2) |
V9 | 0.0202 (2) | 0.0230 (2) | 0.0224 (2) | −0.00086 (19) | 0.0107 (2) | −0.0001 (2) |
Te2 | 0.0208 (2) | 0.0180 (2) | 0.0200 (2) | 0.00005 (18) | 0.01080 (18) | 0.00028 (18) |
V10 | 0.0208 (2) | 0.0180 (2) | 0.0200 (2) | 0.00005 (18) | 0.01080 (18) | 0.00028 (18) |
O1C | 0.0188 (16) | 0.0179 (16) | 0.0239 (17) | −0.0015 (13) | 0.0131 (14) | −0.0024 (14) |
O2C | 0.0186 (16) | 0.0144 (15) | 0.0226 (17) | −0.0016 (13) | 0.0114 (14) | −0.0013 (13) |
O1E | 0.0215 (19) | 0.042 (3) | 0.035 (2) | −0.0065 (18) | 0.0117 (18) | −0.002 (2) |
O2E | 0.029 (2) | 0.029 (2) | 0.044 (3) | 0.0088 (17) | 0.021 (2) | 0.0153 (19) |
O3E | 0.047 (3) | 0.032 (2) | 0.038 (2) | 0.001 (2) | 0.031 (2) | −0.0063 (19) |
O4E | 0.032 (2) | 0.026 (2) | 0.030 (2) | 0.0061 (17) | 0.0166 (18) | 0.0089 (17) |
O5E | 0.030 (2) | 0.029 (2) | 0.034 (2) | 0.0015 (17) | 0.0183 (18) | 0.0066 (18) |
O6E | 0.032 (2) | 0.027 (2) | 0.038 (2) | 0.0079 (18) | 0.019 (2) | 0.0105 (18) |
O7E | 0.033 (2) | 0.042 (3) | 0.031 (2) | −0.0019 (19) | 0.0212 (19) | −0.0062 (19) |
O8E | 0.023 (2) | 0.037 (2) | 0.037 (2) | −0.0078 (18) | 0.0104 (18) | −0.008 (2) |
O1 | 0.028 (2) | 0.029 (2) | 0.034 (2) | 0.0017 (17) | 0.0212 (18) | 0.0028 (17) |
O2 | 0.0166 (17) | 0.028 (2) | 0.037 (2) | 0.0033 (15) | 0.0122 (16) | 0.0063 (18) |
O3 | 0.0210 (18) | 0.0259 (19) | 0.030 (2) | 0.0014 (15) | 0.0147 (16) | 0.0015 (16) |
O4 | 0.029 (2) | 0.0196 (18) | 0.037 (2) | 0.0035 (15) | 0.0198 (19) | 0.0025 (16) |
O5 | 0.0261 (19) | 0.0220 (18) | 0.0282 (19) | −0.0037 (15) | 0.0150 (16) | 0.0015 (15) |
O6 | 0.030 (2) | 0.0274 (19) | 0.0267 (19) | 0.0042 (16) | 0.0204 (17) | 0.0027 (16) |
O7 | 0.0254 (18) | 0.0252 (19) | 0.0233 (18) | 0.0035 (15) | 0.0147 (16) | 0.0041 (15) |
O8 | 0.0235 (18) | 0.0240 (18) | 0.0255 (19) | −0.0027 (15) | 0.0136 (16) | −0.0021 (15) |
O9 | 0.0157 (16) | 0.0276 (19) | 0.0241 (18) | −0.0007 (15) | 0.0058 (14) | −0.0019 (16) |
O10 | 0.0233 (18) | 0.0223 (18) | 0.0277 (19) | 0.0027 (14) | 0.0141 (16) | −0.0004 (15) |
O11 | 0.0218 (17) | 0.0216 (17) | 0.0166 (15) | 0.0026 (14) | 0.0102 (14) | 0.0004 (13) |
O12 | 0.0182 (16) | 0.0186 (16) | 0.0233 (17) | 0.0029 (13) | 0.0099 (14) | 0.0012 (14) |
O13 | 0.0200 (16) | 0.0220 (17) | 0.0162 (15) | 0.0041 (14) | 0.0093 (14) | 0.0017 (13) |
O14 | 0.0184 (17) | 0.0242 (18) | 0.0216 (17) | −0.0004 (14) | 0.0100 (15) | 0.0019 (14) |
O15 | 0.0243 (19) | 0.0237 (19) | 0.0263 (19) | −0.0024 (15) | 0.0132 (16) | −0.0021 (15) |
O16 | 0.031 (2) | 0.0213 (18) | 0.027 (2) | 0.0015 (16) | 0.0171 (17) | −0.0018 (15) |
O17 | 0.0229 (18) | 0.0236 (19) | 0.0225 (18) | −0.0043 (15) | 0.0094 (15) | −0.0048 (15) |
O18 | 0.0260 (19) | 0.0245 (19) | 0.027 (2) | −0.0025 (15) | 0.0145 (17) | −0.0060 (16) |
N1 | 0.039 (3) | 0.058 (4) | 0.052 (4) | −0.007 (3) | 0.033 (3) | −0.003 (3) |
N2 | 0.045 (3) | 0.047 (4) | 0.056 (4) | 0.017 (3) | 0.033 (3) | 0.026 (3) |
C1 | 0.027 (3) | 0.038 (3) | 0.028 (3) | 0.005 (2) | 0.017 (2) | 0.003 (2) |
C2 | 0.028 (3) | 0.047 (4) | 0.039 (4) | −0.002 (3) | 0.016 (3) | 0.000 (3) |
C3 | 0.060 (5) | 0.034 (4) | 0.058 (5) | −0.010 (3) | 0.038 (4) | 0.002 (3) |
C4 | 0.040 (3) | 0.022 (3) | 0.038 (3) | 0.007 (2) | 0.017 (3) | 0.011 (2) |
C5 | 0.037 (4) | 0.066 (5) | 0.029 (3) | 0.021 (3) | 0.016 (3) | −0.001 (3) |
N3 | 0.067 (4) | 0.032 (3) | 0.057 (4) | 0.005 (3) | 0.041 (4) | 0.008 (3) |
N4 | 0.055 (4) | 0.025 (3) | 0.037 (3) | −0.011 (2) | 0.028 (3) | 0.000 (2) |
C6 | 0.032 (3) | 0.024 (3) | 0.034 (3) | 0.001 (2) | 0.019 (3) | 0.001 (2) |
C7 | 0.033 (3) | 0.034 (3) | 0.031 (3) | 0.000 (2) | 0.017 (3) | 0.006 (2) |
C8 | 0.033 (3) | 0.027 (3) | 0.052 (4) | −0.001 (3) | 0.020 (3) | 0.006 (3) |
C9 | 0.030 (3) | 0.023 (3) | 0.028 (3) | −0.002 (2) | 0.013 (2) | −0.007 (2) |
C10 | 0.061 (5) | 0.037 (4) | 0.038 (4) | 0.001 (3) | 0.027 (4) | −0.009 (3) |
N5 | 0.059 (4) | 0.046 (4) | 0.051 (4) | 0.000 (3) | 0.027 (4) | −0.005 (3) |
N6 | 0.089 (5) | 0.022 (3) | 0.039 (3) | −0.005 (3) | 0.021 (4) | 0.006 (2) |
C11 | 0.040 (3) | 0.022 (3) | 0.032 (3) | 0.001 (2) | 0.012 (3) | 0.000 (2) |
C12 | 0.062 (5) | 0.028 (3) | 0.035 (4) | 0.008 (3) | 0.013 (3) | −0.001 (3) |
C13 | 0.058 (5) | 0.024 (3) | 0.052 (5) | 0.003 (3) | 0.010 (4) | 0.001 (3) |
C14 | 0.042 (4) | 0.023 (3) | 0.033 (3) | 0.001 (3) | 0.010 (3) | 0.013 (2) |
C15 | 0.049 (4) | 0.046 (4) | 0.035 (4) | 0.004 (3) | 0.013 (3) | 0.012 (3) |
N7 | 0.047 (4) | 0.054 (4) | 0.042 (3) | −0.007 (3) | 0.023 (3) | 0.000 (3) |
N8 | 0.066 (4) | 0.031 (3) | 0.031 (3) | −0.014 (3) | 0.015 (3) | −0.002 (2) |
C16 | 0.034 (3) | 0.029 (3) | 0.032 (3) | 0.000 (3) | 0.013 (3) | 0.001 (2) |
C17 | 0.066 (5) | 0.028 (3) | 0.030 (3) | 0.000 (3) | 0.023 (3) | 0.009 (3) |
C18 | 0.057 (5) | 0.040 (4) | 0.028 (3) | 0.006 (3) | 0.011 (3) | −0.003 (3) |
C19 | 0.031 (3) | 0.025 (3) | 0.034 (3) | −0.001 (2) | 0.008 (3) | −0.011 (2) |
C20 | 0.037 (4) | 0.023 (3) | 0.058 (5) | −0.006 (3) | 0.021 (3) | −0.004 (3) |
N9 | 0.050 (4) | 0.053 (4) | 0.092 (6) | −0.011 (3) | 0.051 (4) | −0.005 (4) |
N10 | 0.061 (4) | 0.036 (3) | 0.067 (5) | 0.008 (3) | 0.038 (4) | 0.018 (3) |
C21 | 0.030 (3) | 0.033 (3) | 0.031 (3) | −0.001 (2) | 0.018 (2) | 0.007 (2) |
C22 | 0.030 (3) | 0.044 (4) | 0.056 (4) | −0.005 (3) | 0.031 (3) | −0.004 (3) |
C23 | 0.056 (4) | 0.040 (4) | 0.040 (4) | −0.021 (3) | 0.031 (4) | −0.004 (3) |
C24 | 0.036 (3) | 0.016 (2) | 0.033 (3) | 0.004 (2) | 0.012 (3) | 0.005 (2) |
C25 | 0.027 (3) | 0.046 (4) | 0.053 (4) | 0.011 (3) | 0.014 (3) | −0.001 (3) |
V1—O1E | 1.595 (4) | Te1—O15 | 1.769 (4) |
V1—O1 | 1.814 (4) | Te1—O18 | 1.774 (4) |
V1—O2 | 1.867 (4) | Te1—O14 | 1.931 (4) |
V1—O5 | 1.884 (4) | Te1—O13 | 1.950 (4) |
V1—O15 | 2.067 (4) | Te1—O2C | 2.052 (4) |
V1—O1C | 2.374 (4) | Te1—O1C | 2.063 (4) |
V2—O2E | 1.601 (4) | Te2—O17 | 1.774 (4) |
V2—O4 | 1.816 (4) | Te2—O16 | 1.789 (4) |
V2—O2 | 1.818 (4) | Te2—O11 | 1.916 (4) |
V2—O12 | 2.022 (4) | Te2—O12 | 1.923 (4) |
V2—O14 | 2.039 (4) | Te2—O1C | 2.048 (4) |
V2—O1C | 2.287 (4) | Te2—O2C | 2.052 (4) |
V3—O3E | 1.611 (4) | N1—C5 | 1.347 (10) |
V3—O1 | 1.824 (4) | N1—C1 | 1.409 (8) |
V3—O4 | 1.848 (4) | N2—C1 | 1.307 (8) |
V3—O6 | 1.901 (4) | C1—C2 | 1.420 (9) |
V3—O16 | 2.041 (4) | C2—C3 | 1.343 (10) |
V3—O1C | 2.429 (4) | C3—C4 | 1.321 (10) |
V4—O6 | 1.809 (4) | C4—C5 | 1.325 (11) |
V4—O5 | 1.816 (4) | N3—C10 | 1.366 (10) |
V4—O11 | 2.030 (4) | N3—C6 | 1.411 (9) |
V4—O13 | 2.080 (4) | N4—C6 | 1.330 (8) |
V4—O1C | 2.285 (4) | C6—C7 | 1.410 (8) |
V5—O5E | 1.601 (4) | C7—C8 | 1.345 (10) |
V5—O7 | 1.808 (4) | C8—C9 | 1.324 (9) |
V5—O8 | 1.810 (4) | C9—C10 | 1.334 (10) |
V5—O14 | 2.034 (4) | N5—C15 | 1.330 (10) |
V5—O12 | 2.045 (4) | N5—C11 | 1.425 (9) |
V5—O2C | 2.277 (4) | N6—C11 | 1.322 (8) |
V6—O6E | 1.596 (4) | C11—C12 | 1.381 (9) |
V6—O9 | 1.813 (4) | C12—C13 | 1.361 (10) |
V6—O10 | 1.815 (4) | C13—C14 | 1.323 (11) |
V6—O13 | 2.022 (4) | C14—C15 | 1.341 (10) |
V6—O11 | 2.046 (4) | N7—C20 | 1.357 (9) |
V6—O2C | 2.296 (4) | N7—C16 | 1.444 (9) |
V7—O7E | 1.610 (4) | N8—C16 | 1.319 (8) |
V7—O3 | 1.810 (4) | C16—C17 | 1.408 (9) |
V7—O10 | 1.871 (4) | C17—C18 | 1.364 (10) |
V7—O7 | 1.879 (4) | C18—C19 | 1.331 (10) |
V7—O18 | 2.058 (4) | C19—C20 | 1.322 (10) |
V7—O2C | 2.396 (4) | N9—C25 | 1.379 (10) |
V8—O8E | 1.603 (4) | N9—C21 | 1.404 (9) |
V8—O3 | 1.835 (4) | N10—C21 | 1.320 (8) |
V8—O9 | 1.843 (4) | C21—C22 | 1.430 (9) |
V8—O8 | 1.918 (4) | C22—C23 | 1.351 (10) |
V8—O17 | 2.031 (4) | C23—C24 | 1.316 (10) |
V8—O2C | 2.414 (4) | C24—C25 | 1.309 (10) |
O1E—V1—O1 | 104.6 (2) | O15—Te1—O13 | 95.61 (17) |
O1E—V1—O2 | 104.1 (2) | O18—Te1—O13 | 95.62 (17) |
O1—V1—O2 | 91.42 (19) | O14—Te1—O13 | 158.89 (16) |
O1E—V1—O5 | 101.7 (2) | O15—Te1—O2C | 166.18 (16) |
O1—V1—O5 | 90.34 (19) | O18—Te1—O2C | 88.46 (16) |
O2—V1—O5 | 152.78 (17) | O14—Te1—O2C | 81.97 (15) |
O1E—V1—O15 | 99.6 (2) | O13—Te1—O2C | 81.48 (15) |
O1—V1—O15 | 155.70 (18) | O15—Te1—O1C | 88.51 (16) |
O2—V1—O15 | 84.15 (18) | O18—Te1—O1C | 166.14 (16) |
O5—V1—O15 | 83.16 (17) | O14—Te1—O1C | 82.10 (15) |
O1E—V1—O1C | 173.4 (2) | O13—Te1—O1C | 81.65 (15) |
O1—V1—O1C | 81.78 (16) | O2C—Te1—O1C | 77.71 (14) |
O2—V1—O1C | 76.99 (15) | O17—Te2—O16 | 104.49 (18) |
O5—V1—O1C | 76.40 (15) | O17—Te2—O11 | 96.53 (17) |
O15—V1—O1C | 73.94 (14) | O16—Te2—O11 | 97.11 (17) |
O2E—V2—O4 | 105.1 (2) | O17—Te2—O12 | 96.35 (17) |
O2E—V2—O2 | 105.0 (2) | O16—Te2—O12 | 95.45 (17) |
O4—V2—O2 | 93.47 (19) | O11—Te2—O12 | 159.15 (16) |
O2E—V2—O12 | 99.83 (19) | O17—Te2—O1C | 166.67 (16) |
O4—V2—O12 | 90.20 (17) | O16—Te2—O1C | 88.83 (17) |
O2—V2—O12 | 152.94 (17) | O11—Te2—O1C | 81.94 (15) |
O2E—V2—O14 | 99.1 (2) | O12—Te2—O1C | 81.75 (15) |
O4—V2—O14 | 153.70 (17) | O17—Te2—O2C | 88.63 (16) |
O2—V2—O14 | 90.08 (17) | O16—Te2—O2C | 166.84 (17) |
O12—V2—O14 | 75.45 (15) | O11—Te2—O2C | 82.04 (14) |
O2E—V2—O1C | 171.85 (19) | O12—Te2—O2C | 81.94 (15) |
O4—V2—O1C | 80.48 (16) | O1C—Te2—O2C | 78.04 (14) |
O2—V2—O1C | 80.23 (16) | Te2—O1C—Te1 | 102.01 (15) |
O12—V2—O1C | 73.96 (14) | Te2—O1C—V4 | 94.00 (14) |
O14—V2—O1C | 74.46 (14) | Te1—O1C—V4 | 95.66 (14) |
O3E—V3—O1 | 105.6 (2) | Te2—O1C—V2 | 94.16 (14) |
O3E—V3—O4 | 104.6 (2) | Te1—O1C—V2 | 94.01 (15) |
O1—V3—O4 | 90.89 (19) | V4—O1C—V2 | 165.78 (17) |
O3E—V3—O6 | 103.5 (2) | Te2—O1C—V1 | 168.96 (19) |
O1—V3—O6 | 89.30 (19) | Te1—O1C—V1 | 89.03 (13) |
O4—V3—O6 | 150.70 (17) | V4—O1C—V1 | 85.12 (12) |
O3E—V3—O16 | 100.9 (2) | V2—O1C—V1 | 84.64 (12) |
O1—V3—O16 | 153.48 (17) | Te2—O1C—V3 | 88.27 (13) |
O4—V3—O16 | 84.20 (17) | Te1—O1C—V3 | 169.63 (18) |
O6—V3—O16 | 82.68 (17) | V4—O1C—V3 | 84.84 (12) |
O3E—V3—O1C | 174.3 (2) | V2—O1C—V3 | 83.79 (12) |
O1—V3—O1C | 80.04 (15) | V1—O1C—V3 | 80.69 (11) |
O4—V3—O1C | 76.06 (15) | Te2—O2C—Te1 | 102.24 (15) |
O6—V3—O1C | 75.12 (15) | Te2—O2C—V5 | 94.46 (14) |
O16—V3—O1C | 73.48 (14) | Te1—O2C—V5 | 94.28 (14) |
O4E—V4—O6 | 105.1 (2) | Te2—O2C—V6 | 94.38 (14) |
O4E—V4—O5 | 104.1 (2) | Te1—O2C—V6 | 94.46 (13) |
O6—V4—O5 | 95.27 (19) | V5—O2C—V6 | 165.98 (17) |
O4E—V4—O11 | 100.81 (19) | Te2—O2C—V7 | 168.78 (18) |
O6—V4—O11 | 89.92 (17) | Te1—O2C—V7 | 88.98 (13) |
O5—V4—O11 | 152.19 (17) | V5—O2C—V7 | 84.49 (12) |
O4E—V4—O13 | 99.75 (19) | V6—O2C—V7 | 84.73 (12) |
O6—V4—O13 | 152.93 (17) | Te2—O2C—V8 | 88.04 (13) |
O5—V4—O13 | 88.79 (16) | Te1—O2C—V8 | 169.69 (18) |
O11—V4—O13 | 74.93 (15) | V5—O2C—V8 | 85.54 (12) |
O4E—V4—O1C | 172.39 (18) | V6—O2C—V8 | 83.91 (12) |
O6—V4—O1C | 80.60 (16) | V7—O2C—V8 | 80.74 (11) |
O5—V4—O1C | 80.03 (15) | V1—O1—V3 | 117.4 (2) |
O11—V4—O1C | 73.89 (14) | V2—O2—V1 | 116.8 (2) |
O13—V4—O1C | 73.76 (14) | V7—O3—V8 | 117.5 (2) |
O5E—V5—O7 | 104.3 (2) | V2—O4—V3 | 118.6 (2) |
O5E—V5—O8 | 104.1 (2) | V4—O5—V1 | 116.8 (2) |
O7—V5—O8 | 95.22 (18) | V4—O6—V3 | 118.0 (2) |
O5E—V5—O14 | 99.98 (19) | V5—O7—V7 | 116.9 (2) |
O7—V5—O14 | 89.63 (17) | V5—O8—V8 | 117.5 (2) |
O8—V5—O14 | 153.42 (17) | V6—O9—V8 | 119.0 (2) |
O5E—V5—O12 | 100.09 (19) | V6—O10—V7 | 118.1 (2) |
O7—V5—O12 | 153.11 (17) | Te2—O11—V4 | 107.03 (17) |
O8—V5—O12 | 89.60 (16) | Te2—O11—V6 | 107.39 (17) |
O14—V5—O12 | 75.06 (15) | V4—O11—V6 | 101.05 (16) |
O5E—V5—O2C | 172.62 (18) | Te2—O12—V2 | 107.36 (17) |
O7—V5—O2C | 80.70 (15) | Te2—O12—V5 | 106.61 (17) |
O8—V5—O2C | 80.62 (16) | V2—O12—V5 | 101.10 (17) |
O14—V5—O2C | 74.39 (14) | Te1—O13—V6 | 107.13 (18) |
O12—V5—O2C | 74.01 (14) | Te1—O13—V4 | 106.28 (16) |
O6E—V6—O9 | 105.6 (2) | V6—O13—V4 | 100.15 (15) |
O6E—V6—O10 | 104.8 (2) | Te1—O14—V5 | 106.48 (17) |
O9—V6—O10 | 93.46 (18) | Te1—O14—V2 | 106.64 (17) |
O6E—V6—O13 | 99.6 (2) | V5—O14—V2 | 100.86 (17) |
O9—V6—O13 | 152.42 (17) | Te1—O15—V1 | 108.51 (19) |
O10—V6—O13 | 90.62 (16) | Te2—O16—V3 | 109.4 (2) |
O6E—V6—O11 | 101.0 (2) | Te2—O17—V8 | 109.70 (19) |
O9—V6—O11 | 88.47 (17) | Te1—O18—V7 | 109.11 (19) |
O10—V6—O11 | 152.55 (17) | C5—N1—C1 | 119.7 (6) |
O13—V6—O11 | 75.85 (15) | N2—C1—N1 | 122.8 (6) |
O6E—V6—O2C | 172.43 (19) | N2—C1—C2 | 121.3 (6) |
O9—V6—O2C | 79.70 (16) | N1—C1—C2 | 115.9 (6) |
O10—V6—O2C | 79.87 (16) | C3—C2—C1 | 120.3 (7) |
O13—V6—O2C | 74.19 (14) | C4—C3—C2 | 121.4 (7) |
O11—V6—O2C | 73.54 (14) | C3—C4—C5 | 120.7 (6) |
O7E—V7—O3 | 104.7 (2) | C4—C5—N1 | 122.1 (7) |
O7E—V7—O10 | 104.1 (2) | C10—N3—C6 | 120.7 (6) |
O3—V7—O10 | 90.59 (18) | N4—C6—C7 | 121.6 (6) |
O7E—V7—O7 | 102.8 (2) | N4—C6—N3 | 122.3 (6) |
O3—V7—O7 | 90.85 (18) | C7—C6—N3 | 116.1 (6) |
O10—V7—O7 | 151.82 (17) | C8—C7—C6 | 119.6 (6) |
O7E—V7—O18 | 100.5 (2) | C9—C8—C7 | 122.6 (6) |
O3—V7—O18 | 154.80 (17) | C8—C9—C10 | 120.7 (6) |
O10—V7—O18 | 83.70 (17) | C9—C10—N3 | 120.2 (7) |
O7—V7—O18 | 83.10 (17) | C15—N5—C11 | 120.3 (7) |
O7E—V7—O2C | 173.89 (19) | N6—C11—C12 | 122.2 (6) |
O3—V7—O2C | 81.35 (15) | N6—C11—N5 | 121.1 (6) |
O10—V7—O2C | 76.18 (15) | C12—C11—N5 | 116.6 (6) |
O7—V7—O2C | 76.23 (15) | C13—C12—C11 | 120.0 (7) |
O18—V7—O2C | 73.45 (14) | C14—C13—C12 | 121.4 (7) |
O8E—V8—O3 | 105.8 (2) | C13—C14—C15 | 120.6 (6) |
O8E—V8—O9 | 103.5 (2) | N5—C15—C14 | 121.1 (7) |
O3—V8—O9 | 91.99 (18) | C20—N7—C16 | 119.0 (6) |
O8E—V8—O8 | 104.8 (2) | N8—C16—C17 | 122.6 (6) |
O3—V8—O8 | 88.41 (18) | N8—C16—N7 | 120.6 (6) |
O9—V8—O8 | 150.53 (17) | C17—C16—N7 | 116.8 (6) |
O8E—V8—O17 | 100.3 (2) | C18—C17—C16 | 119.2 (6) |
O3—V8—O17 | 153.80 (17) | C19—C18—C17 | 122.1 (7) |
O9—V8—O17 | 84.52 (17) | C20—C19—C18 | 121.1 (6) |
O8—V8—O17 | 82.30 (16) | C19—C20—N7 | 121.9 (7) |
O8E—V8—O2C | 173.9 (2) | C25—N9—C21 | 119.3 (6) |
O3—V8—O2C | 80.36 (15) | N10—C21—N9 | 122.3 (6) |
O9—V8—O2C | 75.98 (14) | N10—C21—C22 | 121.9 (6) |
O8—V8—O2C | 75.05 (14) | N9—C21—C22 | 115.8 (6) |
O17—V8—O2C | 73.59 (14) | C23—C22—C21 | 119.5 (6) |
O15—Te1—O18 | 105.31 (18) | C24—C23—C22 | 122.7 (6) |
O15—Te1—O14 | 97.35 (17) | C25—C24—C23 | 120.0 (6) |
O18—Te1—O14 | 96.93 (18) | C24—C25—N9 | 122.5 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1···O6i | 0.86 | 2.57 | 3.426 (8) | 172 |
N2—H2A···O1i | 0.86 | 2.26 | 3.105 (8) | 167 |
N2—H2B···O3ii | 0.86 | 2.50 | 3.006 (7) | 118 |
N2—H2B···O10ii | 0.86 | 2.28 | 3.121 (8) | 165 |
C4—H4···O3E | 0.93 | 2.44 | 2.995 (8) | 119 |
C4—H4···O8Eiii | 0.93 | 2.26 | 3.073 (8) | 146 |
C5—H5···O9iii | 0.93 | 2.24 | 3.136 (8) | 161 |
N3—H3A···O12iv | 0.86 | 2.54 | 3.397 (7) | 175 |
N4—H4A···O7v | 0.86 | 2.05 | 2.896 (7) | 168 |
N4—H4B···O16iv | 0.86 | 2.19 | 2.998 (7) | 156 |
C7—H7···O18v | 0.93 | 2.57 | 3.495 (8) | 171 |
C9—H9···O5i | 0.93 | 1.86 | 2.760 (7) | 161 |
N5—H5A···O10ii | 0.86 | 2.61 | 3.404 (8) | 154 |
N6—H6A···O1Evi | 0.86 | 2.14 | 2.922 (8) | 151 |
N6—H6B···O7Eii | 0.86 | 2.05 | 2.900 (8) | 171 |
C12—H12···O1Evi | 0.93 | 2.63 | 3.312 (9) | 130 |
C14—H14···O8iv | 0.93 | 1.78 | 2.703 (7) | 174 |
C14—H14···O17iv | 0.93 | 2.62 | 3.146 (8) | 117 |
N7—H7A···O15vi | 0.86 | 2.48 | 3.308 (8) | 161 |
N8—H8A···O3Evii | 0.86 | 2.12 | 2.966 (7) | 169 |
N8—H8B···O14vi | 0.86 | 2.18 | 2.963 (7) | 152 |
C19—H19···O13ii | 0.93 | 1.88 | 2.788 (7) | 165 |
C20—H20···O18ii | 0.93 | 2.43 | 3.202 (8) | 140 |
N9—H9A···O5E | 0.86 | 2.46 | 3.244 (7) | 151 |
N10—H10A···O3 | 0.86 | 2.30 | 3.098 (8) | 155 |
N10—H10B···O1viii | 0.86 | 2.65 | 3.294 (8) | 132 |
N10—H10B···O2viii | 0.86 | 2.34 | 3.169 (8) | 162 |
C22—H22···O2Eviii | 0.93 | 2.29 | 3.189 (8) | 164 |
C24—H24···O4Eix | 0.93 | 2.35 | 2.929 (7) | 120 |
C24—H24···O6Eix | 0.93 | 2.61 | 3.153 (7) | 118 |
C24—H24···O11x | 0.93 | 2.48 | 3.003 (7) | 116 |
C10—H10···Cg1 | 0.93 | 3.07 | 3.902 | 151 |
C18—H18···Cg5iv | 0.93 | 2.66 | 3.450 | 143 |
Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y, −z+1; (iii) x−1, y, z; (iv) x, −y+1/2, z+1/2; (v) x, y, z+1; (vi) x+1, y, z+1; (vii) x+1, −y+1/2, z+1/2; (viii) x+1, y, z; (ix) −x+1, y+1/2, −z+1/2; (x) x, −y+1/2, z−1/2. |
Acknowledgements
This work was supported by the Tunisian Ministry of Higher Education Scientific Research.
Funding information
Funding for this research was provided by: Tunisian Ministry of Higher Education Scientific Research. .
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