Abstract
C27H54N6O28V10, triclinic,
The asymmetric unit of the title crystal structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Data collection and handling.
| Crystal: | Orange block |
| Size: | 0.30 × 0.26 × 0.23 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 1.95 mm−1 |
| Diffractometer, scan mode: | D8, φ and ω |
| θmax, completeness: | 25.0°, >99% |
| N(hkl)measured, N(hkl)unique, Rint: | 19494, 8468, 0.021 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 6898 |
| N(param)refined: | 641 |
| Programs: | Bruker [1], SHELX [2] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| V1 | 0.19317 (4) | 0.73835 (3) | 0.93744 (3) | 0.01919 (11) |
| V2 | 0.17734 (4) | 0.95560 (3) | 0.92230 (3) | 0.02003 (11) |
| V3 | 0.10097 (4) | 1.02294 (3) | 0.74243 (3) | 0.02194 (11) |
| V4 | 0.38385 (4) | 1.10791 (3) | 0.83842 (3) | 0.02159 (11) |
| V5 | 0.30449 (4) | 0.95834 (3) | 0.67754 (3) | 0.01934 (11) |
| V6 | 0.32366 (4) | 0.74662 (3) | 0.69509 (3) | 0.02024 (11) |
| V7 | 0.41903 (4) | 0.68271 (3) | 0.87273 (3) | 0.02226 (12) |
| V8 | 0.13640 (4) | 0.59398 (3) | 0.77324 (3) | 0.02250 (12) |
| V9 | 0.11018 (3) | 0.80615 (3) | 0.75800 (3) | 0.01663 (11) |
| V10 | 0.41043 (4) | 0.89898 (3) | 0.85916 (3) | 0.01743 (11) |
| O1 | 0.09629 (14) | 0.81682 (12) | 0.87495 (11) | 0.0185 (4) |
| O2 | 0.36767 (17) | 0.74912 (14) | 0.60925 (12) | 0.0287 (4) |
| O3 | 0.42176 (14) | 0.88946 (12) | 0.74913 (10) | 0.0177 (4) |
| O4 | 0.10128 (15) | 0.62357 (13) | 0.88124 (11) | 0.0229 (4) |
| O5 | 0.44413 (15) | 0.70338 (13) | 0.76890 (12) | 0.0238 (4) |
| O6 | 0.26772 (14) | 0.76291 (12) | 0.82108 (10) | 0.0178 (4) |
| O7 | 0.19921 (15) | 0.62806 (13) | 0.68026 (11) | 0.0233 (4) |
| O8 | 0.28003 (16) | 0.57074 (13) | 0.83226 (12) | 0.0251 (4) |
| O9 | 0.19436 (14) | 0.81856 (12) | 0.66772 (10) | 0.0185 (4) |
| O10 | 0.02708 (15) | 0.68427 (13) | 0.73186 (11) | 0.0221 (4) |
| O11 | 0.32235 (14) | 0.88640 (12) | 0.95837 (11) | 0.0185 (4) |
| H11 | 0.3718 | 0.9050 | 1.0085 | 0.022* |
| O12 | 0.49443 (14) | 1.02164 (13) | 0.89216 (11) | 0.0212 (4) |
| O13 | 0.01184 (15) | 0.87262 (13) | 0.71859 (11) | 0.0223 (4) |
| O14 | 0.16822 (15) | 1.00189 (13) | 0.65300 (11) | 0.0226 (4) |
| O15 | 0.34592 (15) | 0.69718 (13) | 0.97054 (11) | 0.0223 (4) |
| H15 | 0.4019 | 0.7406 | 1.0092 | 0.027* |
| O16 | 0.23501 (15) | 1.13302 (13) | 0.78882 (11) | 0.0233 (4) |
| O17 | 0.50843 (14) | 0.83351 (12) | 0.90655 (11) | 0.0204 (4) |
| O18 | 0.25426 (14) | 0.94585 (12) | 0.80853 (10) | 0.0176 (4) |
| O19 | 0.34503 (16) | 0.96079 (14) | 0.59023 (12) | 0.0279 (4) |
| O20 | 0.15663 (17) | 0.73762 (14) | 1.02614 (12) | 0.0299 (4) |
| O21 | 0.48589 (17) | 1.21555 (14) | 0.87576 (12) | 0.0311 (4) |
| O22 | 0.06886 (15) | 0.99988 (13) | 0.85355 (11) | 0.0238 (4) |
| O23 | 0.31609 (15) | 1.07955 (13) | 0.94142 (11) | 0.0232 (4) |
| H23 | 0.3763 | 1.0764 | 0.9832 | 0.028* |
| O24 | 0.53030 (17) | 0.64074 (15) | 0.92003 (13) | 0.0333 (5) |
| O25 | 0.14492 (17) | 0.95660 (15) | 1.01285 (12) | 0.0304 (4) |
| O26 | −0.01078 (17) | 1.06570 (15) | 0.69683 (13) | 0.0340 (5) |
| O27 | 0.03670 (17) | 0.48558 (14) | 0.74122 (13) | 0.0359 (5) |
| O28 | 0.41317 (15) | 1.07918 (13) | 0.73903 (11) | 0.0218 (4) |
| C1 | 0.7152 (4) | 0.5701 (3) | 0.3744 (2) | 0.0567 (10) |
| H1A | 0.7725 | 0.5370 | 0.3603 | 0.068* |
| H1B | 0.6563 | 0.5749 | 0.3214 | 0.068* |
| C2 | 0.6416 (4) | 0.5082 (3) | 0.4292 (3) | 0.0716 (13) |
| H2A | 0.5740 | 0.4528 | 0.3932 | 0.086* |
| H2B | 0.6020 | 0.5487 | 0.4555 | 0.086* |
| C3 | 0.7238 (5) | 0.4665 (3) | 0.5002 (3) | 0.0815 (14) |
| H3A | 0.6704 | 0.4326 | 0.5353 | 0.098* |
| H3B | 0.7497 | 0.4165 | 0.4731 | 0.098* |
| C4 | 0.8398 (4) | 0.5391 (3) | 0.5574 (3) | 0.0639 (11) |
| H4A | 0.8832 | 0.5030 | 0.5977 | 0.077* |
| H4B | 0.8139 | 0.5845 | 0.5899 | 0.077* |
| C5 | 0.9345 (3) | 0.6008 (3) | 0.5117 (3) | 0.0580 (10) |
| H5A | 1.0189 | 0.6249 | 0.5512 | 0.070* |
| H5B | 0.9384 | 0.5590 | 0.4645 | 0.070* |
| C6 | 0.8952 (3) | 0.6868 (2) | 0.4791 (2) | 0.0386 (7) |
| C7 | 0.9224 (4) | 0.8642 (3) | 0.4967 (2) | 0.0693 (13) |
| H7A | 0.9572 | 0.8954 | 0.4518 | 0.083* |
| H7B | 0.9531 | 0.9126 | 0.5471 | 0.083* |
| C8 | 0.7808 (4) | 0.8317 (3) | 0.4685 (3) | 0.0621 (11) |
| H8A | 0.7518 | 0.8883 | 0.4517 | 0.075* |
| H8B | 0.7465 | 0.8064 | 0.5154 | 0.075* |
| C9 | 0.7342 (3) | 0.7522 (3) | 0.3951 (2) | 0.0494 (9) |
| H9A | 0.6419 | 0.7256 | 0.3811 | 0.059* |
| H9B | 0.7576 | 0.7804 | 0.3455 | 0.059* |
| C21 | 0.3238 (4) | 0.5084 (3) | 0.2395 (3) | 0.0644 (11) |
| H21A | 0.4030 | 0.5412 | 0.2827 | 0.077* |
| H21B | 0.2547 | 0.5180 | 0.2603 | 0.077* |
| C20 | 0.3067 (3) | 0.3977 (3) | 0.2285 (2) | 0.0465 (8) |
| H20A | 0.3774 | 0.3881 | 0.2097 | 0.056* |
| H20B | 0.3096 | 0.3722 | 0.2835 | 0.056* |
| C19 | 0.1831 (3) | 0.3379 (2) | 0.16505 (19) | 0.0326 (7) |
| H19A | 0.1618 | 0.2691 | 0.1781 | 0.039* |
| H19B | 0.1159 | 0.3636 | 0.1729 | 0.039* |
| C24 | 0.1993 (3) | 0.4213 (2) | 0.0382 (2) | 0.0412 (8) |
| C23 | 0.2048 (4) | 0.5149 (3) | 0.0857 (3) | 0.0632 (11) |
| H23A | 0.1320 | 0.5017 | 0.1093 | 0.076* |
| H23B | 0.1983 | 0.5643 | 0.0459 | 0.076* |
| C22 | 0.3265 (4) | 0.5581 (3) | 0.1579 (3) | 0.0786 (14) |
| H22A | 0.3981 | 0.5514 | 0.1387 | 0.094* |
| H22B | 0.3403 | 0.6290 | 0.1707 | 0.094* |
| C25 | 0.2077 (4) | 0.3376 (3) | −0.0931 (2) | 0.0646 (11) |
| H25A | 0.2931 | 0.3329 | −0.0846 | 0.078* |
| H25B | 0.1744 | 0.3438 | −0.1530 | 0.078* |
| C26 | 0.1241 (3) | 0.2468 (3) | −0.0681 (2) | 0.0526 (9) |
| H26A | 0.1276 | 0.1875 | −0.0982 | 0.063* |
| H26B | 0.0365 | 0.2477 | −0.0839 | 0.063* |
| C27 | 0.1669 (3) | 0.2434 (2) | 0.0268 (2) | 0.0376 (7) |
| H27A | 0.1039 | 0.1906 | 0.0438 | 0.045* |
| H27B | 0.2468 | 0.2281 | 0.0407 | 0.045* |
| C17 | 0.2833 (3) | 1.1163 (2) | 0.3174 (2) | 0.0472 (9) |
| H17A | 0.3187 | 1.1876 | 0.3353 | 0.057* |
| H17B | 0.1984 | 1.0940 | 0.3260 | 0.057* |
| C16 | 0.2735 (3) | 1.0975 (3) | 0.2241 (2) | 0.0494 (9) |
| H16A | 0.2026 | 1.1164 | 0.1903 | 0.059* |
| H16B | 0.3510 | 1.1381 | 0.2118 | 0.059* |
| C18 | 0.3647 (3) | 1.0638 (2) | 0.3721 (2) | 0.0366 (7) |
| H18A | 0.4537 | 1.0994 | 0.3774 | 0.044* |
| H18B | 0.3516 | 1.0648 | 0.4289 | 0.044* |
| C15 | 0.2850 (3) | 0.9310 (2) | 0.25513 (19) | 0.0327 (7) |
| C14 | 0.2582 (3) | 0.8257 (2) | 0.2209 (2) | 0.0480 (9) |
| H14A | 0.3362 | 0.8079 | 0.2377 | 0.058* |
| H14B | 0.2324 | 0.8202 | 0.1589 | 0.058* |
| C13 | 0.1549 (3) | 0.7515 (3) | 0.2514 (2) | 0.0509 (9) |
| H13A | 0.0865 | 0.7797 | 0.2503 | 0.061* |
| H13B | 0.1201 | 0.6910 | 0.2116 | 0.061* |
| C12 | 0.2004 (4) | 0.7240 (3) | 0.3404 (2) | 0.0615 (11) |
| H12A | 0.1295 | 0.6752 | 0.3539 | 0.074* |
| H12B | 0.2656 | 0.6925 | 0.3407 | 0.074* |
| C11 | 0.2539 (3) | 0.8115 (2) | 0.4098 (2) | 0.0491 (9) |
| H11A | 0.2773 | 0.7869 | 0.4647 | 0.059* |
| H11B | 0.1879 | 0.8417 | 0.4111 | 0.059* |
| C10 | 0.3698 (3) | 0.8911 (2) | 0.39777 (19) | 0.0375 (7) |
| H10A | 0.4189 | 0.9290 | 0.4527 | 0.045* |
| H10B | 0.4233 | 0.8588 | 0.3774 | 0.045* |
| N1 | 0.7899 (2) | 0.67144 (19) | 0.41649 (16) | 0.0373 (6) |
| N2 | 0.9630 (3) | 0.7766 (2) | 0.51602 (18) | 0.0546 (8) |
| H2 | 1.0344 | 0.7843 | 0.5533 | 0.065* |
| N3 | 0.3363 (2) | 0.96030 (17) | 0.33712 (15) | 0.0278 (5) |
| N4 | 0.2546 (2) | 0.9933 (2) | 0.20121 (17) | 0.0429 (7) |
| H4 | 0.2208 | 0.9701 | 0.1483 | 0.051* |
| N5 | 0.1842 (2) | 0.33866 (17) | 0.07441 (15) | 0.0287 (5) |
| N6 | 0.2112 (3) | 0.4236 (2) | −0.0407 (2) | 0.0624 (9) |
| H6 | 0.2216 | 0.4796 | −0.0622 | 0.075* |
Source of material
Vanadium pentoxide (0.453 g; 2.5 mmol), 1,8-diazabicyclo[5.4.0]undec-7-ene (1.522 g; 10 mmol) were dissovled in 30 mL deionized water. The mixture was stirred for 12 h at room temperature, the resulting solution was stirred at 80 °C for 4 h and then filtered. the filtrate was set to standby at ambient temperature for five days, orange crystals of the title compound suited for X-ray diffraction were obtained.
Yield: 35%, and elemental analysis: calc. for C27H54N6O28V10: C 22.84, H 3.83, N 5.92; found: C 22.95, H 3.71, N 6.03. The elemental analyses were performed with PERKIN ELMER MODEL 2400 SERIES II.
Experimental details
All hydrogen atomic positions were taken from a difference Fourier map. Hydrogen atoms were assigned with common isotropic displacement factors Uiso (H) = 1.2 times Ueq (C, O, N). All the H atoms were refined as riding on their parent atom.
Comment
Polyoxovanadates (POVs), are a class of vanadium-oxide clusters with reversible multi-electron redox transformations under mild conditions, which allow them to act as multi-functional catalysts in homogeneous or heterogeneous catalytic systems [3], [4], [5], [6]. The functionalization of the POVs cluster can endow them more properties and thus exploration of new functionalized POVs structure is an interesting aspect in recent POVs chemistry [7], [8]. Therefore, a lot of studies on functionalized POVs structure, including organic-inorganic hybrid POVs, organic functionalized POVs, etc. have been widely reported [9]. In addition, as a class of versatile N-ligands, 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) can be used not only as a base but also as solvent in the synthesis of metal complexes. However, the examples of DBU-based polyoxovanadates are still rare.
The molecular structure of title DBU-based decavanadate is displayed in the figure. Single crystal diffraction analysis shows that the title compound consists of three mono-protonated DBu molecules and a threefold-protonated decavanadate cluster. Accordingly, the title compound is formulated as (HDBU)3H3V10O28. The protonated HDBU balanced the negative charge of the threefold-protonated decavanadate polyanions. Each DBU ligand has one protonated hydrogen atom on the nitrogen atom, the C–N bond distances of DBU ligand are in the range of 1.306(4) and 1.472(4) Å, which is similar with those of a reported compound [10].
Additionly, the 3D supramolecular structure of the DBU-based decavanadate is stabilized by intermolecular strong C–H⋯O, N–H⋯O and O–H⋯O hydrogen-bonding interactions with the distances 2.733–2.763 Å (O–O), 2.969–3.044 Å (N–O) and 3.126–3.502 Å (C–O) between
Funding source: Liaocheng University
Award Identifier / Grant number: 263222017215; 263222017214
Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: Research on Experimental Technology of Liaocheng University (263222017215; 263222017214).
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
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© 2020 Yueyang Huo et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution 4.0 International License.
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- Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
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- Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
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- The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
- Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
- Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
- Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
- The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
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- Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
- Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
- The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
- The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
- Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
- The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
- The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
- The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
- The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
- The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
- The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
- Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
- Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
- Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
- Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
- Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
- Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
- The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
- The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
- The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
- The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
Articles in the same Issue
- Frontmatter
- New Crystal Structures
- The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
- The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
- The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
- Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
- Redetermination of the crystal structure of para-toluidine, C7H9N
- The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
- The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
- Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
- The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
- Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4
- The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
- Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
- Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
- Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
- The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5
- The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
- Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
- The crystal structure of methacholine chloride, C8H18ClNO2
- Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2
- Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2N:N′)tetrasilver(I)], C7H8Ag2N3O4S
- Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
- Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
- Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
- Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms
- Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12
- Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8
- Crystal structure of dichloride-bis(1-propylimidazole-κ1N)zinc(II), C12H20Cl2N4Zn
- Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8
- Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2
- Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″]-phthalato-κ1O-nickel(II)-methanol (1/2), C26H31N5NiO8
- Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
- Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N)zinc(II), C24H34N6Cl2Zn
- The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
- Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
- Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
- Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
- The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
- The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
- The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10
- Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
- Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
- The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
- The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
- Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
- The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
- The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
- The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
- The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
- The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
- The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
- Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
- Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
- Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
- Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
- Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
- Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
- The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
- The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
- The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
- The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS