Startseite Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
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Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2

  • Qin Wang , Jia-Hao Gao , Sheng-Rui Zhang , Yan-Hong Gao und Jiu-Fu Lu ORCID logo EMAIL logo
Veröffentlicht/Copyright: 15. Juli 2022
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 237 Heft 5

Abstract

C44H43N11O12Co2, triclinic, P 1 ‾ (no. 2), a = 10.7333(11) Å, b = 13.6796(11) Å, c = 16.751(2) Å, α = 113.982(2)°, β = 90.578(2)°, γ = 105.7310(10)°, V = 2142.7(4) Å3, Z = 2, R gt (F) = 0.0460, wR ref (F 2) = 0.1015, T = 296(2) K.

CCDC no.: 2168454

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Purple block
Size: 0.18 × 0.15 × 0.12 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.86 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θ max, completeness: 25.0°, 99%
N(hkl) measured , N(hkl) unique, R int: 10,985, 7503, 0.029
Criterion for I obs, N(hkl) gt: I obs > 2 σ(I obs), 5201
N(param)refined: 648
Programs: Bruker [1], SHELX [2, 3]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

Atom x y z U iso*/U eq
C1 0.3879 (4) 0.1110 (3) 0.3604 (3) 0.0274 (9)
C2 0.4536 (4) 0.2238 (3) 0.4345 (2) 0.0252 (9)
C3 0.5784 (4) 0.2481 (3) 0.4761 (3) 0.0308 (10)
H3 0.623960 0.195684 0.455387 0.037*
C4 0.6354 (4) 0.3499 (3) 0.5479 (3) 0.0303 (10)
H4 0.719467 0.365467 0.574119 0.036*
C5 0.5692 (4) 0.4285 (3) 0.5812 (3) 0.0282 (10)
C6 0.4446 (4) 0.4046 (3) 0.5394 (3) 0.0387 (12)
H6 0.398785 0.456715 0.560308 0.046*
C7 0.3888 (4) 0.3034 (3) 0.4668 (3) 0.0379 (11)
H7 0.305956 0.288977 0.439237 0.046*
C8 0.6243 (4) 0.5326 (3) 0.6615 (3) 0.0267 (9)
C9 0.7500 (4) 0.6526 (3) 0.7785 (3) 0.0249 (9)
C10 0.8560 (4) 0.7113 (3) 0.8530 (3) 0.0257 (9)
C11 0.9415 (4) 0.6544 (3) 0.8603 (3) 0.0361 (11)
H11 0.931307 0.581923 0.818010 0.043*
C12 1.0409 (4) 0.7041 (3) 0.9294 (3) 0.0356 (11)
H12 1.098930 0.665642 0.932324 0.043*
C13 1.0560 (4) 0.8096 (3) 0.9944 (3) 0.0262 (9)
C14 0.9697 (4) 0.8660 (3) 0.9887 (3) 0.0352 (11)
H14 0.977279 0.936575 1.033182 0.042*
C15 0.8711 (4) 0.8183 (3) 0.9170 (3) 0.0365 (11)
H15 0.816005 0.858311 0.912341 0.044*
C16 1.1592 (4) 0.8599 (3) 1.0734 (3) 0.0268 (9)
C17 −0.0552 (4) −0.2869 (3) 0.1583 (2) 0.0238 (9)
C18 −0.1650 (3) −0.3556 (3) 0.0828 (2) 0.0212 (9)
C19 −0.1792 (4) −0.4673 (3) 0.0276 (3) 0.0276 (10)
H19 −0.121121 −0.501797 0.037775 0.033*
C20 −0.2794 (4) −0.5275 (3) −0.0426 (2) 0.0264 (9)
H20 −0.287924 −0.602121 −0.079108 0.032*
C21 −0.3674 (3) −0.4768 (3) −0.0587 (2) 0.0220 (9)
C22 −0.3541 (4) −0.3658 (3) −0.0033 (3) 0.0284 (10)
H22 −0.413149 −0.331431 −0.012582 0.034*
C23 −0.2521 (4) −0.3057 (3) 0.0665 (3) 0.0276 (10)
H23 −0.242519 −0.230722 0.102591 0.033*
C24 −0.4723 (3) −0.5406 (3) −0.1342 (2) 0.0212 (9)
C25 −0.5955 (3) −0.6628 (3) −0.2525 (2) 0.0217 (9)
C26 −0.6481 (3) −0.7666 (3) −0.3331 (2) 0.0214 (9)
C27 −0.5836 (4) −0.8472 (3) −0.3611 (2) 0.0255 (9)
H27 −0.505495 −0.834942 −0.328760 0.031*
C28 −0.6339 (3) −0.9460 (3) −0.4369 (2) 0.0243 (9)
H28 −0.589998 −0.999828 −0.454519 0.029*
C29 −0.7503 (3) −0.9650 (3) −0.4867 (2) 0.0220 (9)
C30 −0.8144 (4) −0.8840 (3) −0.4591 (3) 0.0276 (10)
H30 −0.891362 −0.895400 −0.492235 0.033*
C31 −0.7653 (4) −0.7863 (3) −0.3828 (3) 0.0288 (10)
H31 −0.810492 −0.733410 −0.364307 0.035*
C32 −0.8017 (4) −1.0718 (3) −0.5680 (2) 0.0245 (9)
C33 0.0147 (4) 0.1560 (3) 0.3035 (3) 0.0358 (11)
H33 0.093369 0.202487 0.299681 0.043*
C34 −0.1301 (4) 0.0159 (4) 0.3037 (3) 0.0382 (11)
H34 −0.171273 −0.055442 0.299786 0.046*
C35 −0.1872 (4) 0.0979 (4) 0.3230 (3) 0.0423 (12)
H35 −0.272753 0.093985 0.334042 0.051*
C36 −0.1073 (5) 0.2999 (4) 0.3462 (4) 0.0531 (14)
H36A −0.024813 0.349647 0.344180 0.064*
H36B −0.127010 0.329331 0.406262 0.064*
C37 −0.2116 (4) 0.3000 (4) 0.2870 (3) 0.0478 (13)
H37A −0.286519 0.235094 0.275246 0.057*
H37B −0.179958 0.291345 0.231172 0.057*
C38 −0.2558 (4) 0.4021 (3) 0.3214 (3) 0.0431 (12)
H38A −0.314243 0.398790 0.275192 0.052*
H38B −0.304809 0.402445 0.369836 0.052*
C39 −0.0844 (4) 0.5516 (3) 0.3011 (3) 0.0284 (10)
H39 −0.104639 0.520312 0.240085 0.034*
C40 −0.0913 (4) 0.5771 (4) 0.4375 (3) 0.0439 (12)
H40 −0.114927 0.568785 0.488157 0.053*
C41 0.0054 (4) 0.6610 (4) 0.4329 (3) 0.0388 (11)
H41 0.060557 0.720810 0.481298 0.047*
C42 0.5167 (4) 0.9317 (4) 0.8532 (3) 0.0417 (12)
H42 0.583760 0.957964 0.825472 0.050*
C43 0.3216 (5) 0.9538 (5) 0.9212 (4) 0.0633 (16)
H43A 0.325772 0.888710 0.928576 0.095*
H43B 0.240335 0.936662 0.886481 0.095*
H43C 0.327428 1.014132 0.977922 0.095*
C44 0.4384 (5) 1.0850 (4) 0.8610 (4) 0.0562 (15)
H44A 0.507387 1.094781 0.826336 0.084*
H44B 0.456681 1.150016 0.916436 0.084*
H44C 0.357138 1.075325 0.829959 0.084*
Co1 0.12432 (5) −0.04372 (4) 0.26195 (3) 0.02256 (15)
Co2 0.13780 (5) −0.25823 (4) 0.29449 (3) 0.02151 (15)
N1 0.5670 (3) 0.6119 (3) 0.6928 (2) 0.0344 (9)
N2 0.6491 (3) 0.6885 (3) 0.7679 (2) 0.0331 (9)
H2 0.637801 0.750821 0.803415 0.040*
N3 0.7377 (3) 0.5538 (3) 0.7122 (2) 0.0281 (8)
N4 −0.5693 (3) −0.5042 (3) −0.1497 (2) 0.0265 (8)
H4A −0.579942 −0.440714 −0.116252 0.032*
N5 −0.6492 (3) −0.5808 (2) −0.2254 (2) 0.0259 (8)
N6 −0.4845 (3) −0.6411 (2) −0.1984 (2) 0.0227 (7)
N7 −0.0034 (3) 0.0520 (3) 0.2907 (2) 0.0280 (8)
N8 −0.0929 (3) 0.1883 (3) 0.3228 (2) 0.0369 (9)
N9 −0.1475 (3) 0.5069 (3) 0.3523 (2) 0.0321 (9)
N10 0.0108 (3) 0.6458 (3) 0.3474 (2) 0.0262 (8)
N11 0.4295 (3) 0.9870 (3) 0.8766 (2) 0.0402 (10)
O1 0.2751 (2) 0.0990 (2) 0.32642 (18) 0.0321 (7)
O2 0.4434 (3) 0.0372 (2) 0.33751 (19) 0.0382 (8)
O3 1.1577 (3) 0.9508 (2) 1.13595 (17) 0.0326 (7)
O4 1.2389 (3) 0.8072 (2) 1.07241 (18) 0.0362 (7)
O5 −0.0371 (2) −0.1834 (2) 0.19469 (18) 0.0306 (7)
O6 0.0105 (2) −0.3381 (2) 0.18025 (17) 0.0300 (7)
O7 −0.7561 (3) −1.1515 (2) −0.58065 (18) 0.0331 (7)
O8 −0.8919 (2) −1.0835 (2) −0.62484 (17) 0.0294 (7)
O9 0.2604 (3) −0.1510 (2) 0.24192 (18) 0.0263 (6)
O10 0.2457 (3) −0.3655 (2) 0.25684 (19) 0.0286 (7)
O11 0.3705 (3) 0.6984 (3) 0.9298 (2) 0.0488 (9)
O12 0.5167 (3) 0.8481 (3) 0.8651 (2) 0.0487 (9)
H11A 0.411 (3) 0.7516 (13) 0.9170 (15) 0.026 (12)*
H11B 0.326 (2) 0.7269 (19) 0.9698 (14) 0.063 (18)*
H10A 0.3189 (14) −0.355 (2) 0.2376 (18) 0.050 (15)*
H10B 0.236 (3) −0.4229 (13) 0.2671 (16) 0.042 (14)*
H9B 0.326 (2) −0.0922 (19) 0.2647 (18) 0.068 (17)*
H9A 0.258 (4) −0.172 (3) 0.1865 (3) 0.073 (18)*

Source of material

The mixture of 3,5-bis(4′-carboxy-phenyl)-1,2,4-triazole 15.45 mg (0.05 mmol), cobalt nitrate hexahydrate 43.65 mg (0.075 mmol), 1,3-di(1H-imidazol-1-yl)propane 17.6 mg (0.05 mmol), NaOH 12 mg (0.15 mmol) and N,N-dimethylformamide (6 mL) were placed in the autoclave lined with PTFE and heated at 120 ∘C for 24 h, then cooled down to room temperature over 24 h. The light pink crystals after cooling to room temperature were collected.

Experimental details

The structure was solved by direct methods and refined with the SHELX crystallographic software package [1]. The hydrogen atoms were placed at calculated positions and refined as riding atoms.

Comment

Coordination polymers (CPs) have raised special interest as a class of organic-inorganic hybrid materials due to their unique infinite structures, rich structural diversities formed by the combination of metal ions with organic ligands and important potential applications. Mixed ligands-CPs are often constructed from metal ions, carboxylates and nitrogen-containing ligands. In most situations, N containing ligands are electrically neutral, while carboxylate ligands are negatively charged in such coordination polymers. Multicarboxylates like the 3,5-bis(4′-carboxy-phenyl)-1,2,4-triazole have been widely utilized in such networks [4], [5], [6], [7]. On the other hand, 1,3-di(1H-imidazol-1-yl)propane (diim) is known to serve as bridging ligand [8], [9], [10]. Meanwhile, similar coordination polymer has been reported [11] which is constructed by same metal ion and ligands, the title compound exhibts a totally different structure by changing the synthesis conditions.

The asymmetric unit of title structure contains two independent Co(II) cations (Co1, Co2), two deprotonated 3,5-bis(4′-carboxy-phenyl)-1,2,4-triazole ligands, one 1,3-di(1H-imidazol-1-yl)propane ligand, one bridging water molecule, one unidentate coordinated water molecule, one free DMF and one free water. As shown in the figure, the two Co(II) exhibit similar coordination modes which exhibit distorted octahedral geometry. The six atoms that coordinate with Co1 come from one nitrogen atom (N7) of 1,3-di(1H-imidazol-1-yl)propane, one oxygen atom (O9) of bridged water, three unidentate coordinated oxygen atoms (O1,O3,O5) of three 4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoate ligands, one bridged carboxyl oxygen atom (O8) of one 4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoate ligand. Meanwhile, Co2 exhibits another distorted octahedral geometry with one nitrogen atom (N10) of 1,3-di(1H-imidazol-1-yl)propane, one oxygen atom (O9) of bridging coordinated water molecule, one oxygen atom (O10) of one unidentate water, three atoms (O6,O7,O8) of three 4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoate ligands. An interesting two dimensional double layer framework is formed.

Corresponding author: Jiu-Fu Lu, Shaanxi Key Laboratory of Catalysis, College of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong, 723001, P. R. China, E-mail:

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: 22177066

Funding source: Natural Science Foundation of Shaanxi Province

Award Identifier / Grant number: 2021KJXX-51

Funding source: Hanzhong City and Shaanxi University of Technology

Award Identifier / Grant number: SLGRCQD2007

Funding source: Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education

Award Identifier / Grant number: KLSNFM2020007

Funding source: Shaanxi Provincial Science and Technology Department

Award Identifier / Grant number: 2021JQ-752

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: The National Natural Science Foundation of China (No. 22177066), the Natural Science Foundation of Shaanxi Province (No. 2021KJXX-51), the Co-construction Project of Hanzhong City and Shaanxi University of Technology (SLGRCQD2007), and the Open Foundation of Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education (KLSNFM2020007). Shaanxi Provincial Science and Technology Department project (Program No. 2021JQ-752).

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2022-04-22
Accepted: 2022-07-04
Published Online: 2022-07-15
Published in Print: 2022-10-26

© 2022 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
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  4. Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6
  5. Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl
  6. The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C13H9Cl2N3O2
  7. Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3
  8. Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
  9. Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5
  10. Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
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  12. Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14
  13. Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
  14. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO
  15. Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2
  16. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5
  17. Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4
  18. The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2
  19. Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)zinc(II), C20H14N6ZnS4
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  22. The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6
  23. The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
  24. Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C12H15N7O3
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  26. Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ 2 N:N)-(nitrato-κ 2 O:O′) silver(I), C9H8AgN7O3
  27. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8
  28. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni
  29. Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
  30. Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2
  31. The crystal structure of Chrysosplenol D, C18H16O8
  32. Crystal structure of poly[deca aqua-bis(μ 4-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ 5-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C44H42Mn5N12O36
  33. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2
  34. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2
  35. Crystal structure of N 2,N 4-dimesitylpentane-2,4-diamine, C23H34N2
  36. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6
  37. The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C25H30Cl4N6O6
  38. Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3
  39. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3
  40. {2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5
  41. Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2
  42. Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C32H30N4O8
  43. Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2
  44. The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9
  45. Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
  46. The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12
  47. Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4
  48. Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C12H10N2O6
  49. The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C15H13BrO2
  50. Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2
  51. Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)cadmium(II), C60H68O4N12Cl10Cd
  52. Crystal structure of diaqua-diphenanthroline-κ2 N,N′-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-tetrafluorophthalato-κ3 O,O′:O′)didysprosium(III) – phenanthroline (1/2), C80H38Dy2F16N8O18
  53. Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2
  54. Crystal structure of poly[diaqua-(μ2-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ2 O:O′)(μ2-oxalato-κ4O,O:O″,O′″)europium(III)] monohydrate, C9H10N3O9Eu
  55. Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4
  56. Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2
  57. Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2
  58. Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8
https://doi.org/10.1515/ncrs-2022-0215
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 3-(1-(2-((5-methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4-dione, C17H14N2O3S
  4. Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6
  5. Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl
  6. The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C13H9Cl2N3O2
  7. Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3
  8. Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
  9. Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5
  10. Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
  11. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3
  12. Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14
  13. Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
  14. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO
  15. Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2
  16. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5
  17. Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4
  18. The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2
  19. Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)zinc(II), C20H14N6ZnS4
  21. Crystal structure of pentacarbonyl-(μ2-propane-1,3-dithiolato-κ4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ1 P)diiron (Fe-Fe), C27H23Fe2O5PS2
  22. The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6
  23. The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
  24. Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C12H15N7O3
  25. The crystal structure of methyl 4-((3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl) benzoate, C23H28O3
  26. Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ 2 N:N)-(nitrato-κ 2 O:O′) silver(I), C9H8AgN7O3
  27. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8
  28. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni
  29. Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
  30. Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2
  31. The crystal structure of Chrysosplenol D, C18H16O8
  32. Crystal structure of poly[deca aqua-bis(μ 4-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ 5-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C44H42Mn5N12O36
  33. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2
  34. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2
  35. Crystal structure of N 2,N 4-dimesitylpentane-2,4-diamine, C23H34N2
  36. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6
  37. The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C25H30Cl4N6O6
  38. Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3
  39. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3
  40. {2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5
  41. Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2
  42. Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C32H30N4O8
  43. Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2
  44. The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9
  45. Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
  46. The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12
  47. Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4
  48. Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C12H10N2O6
  49. The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C15H13BrO2
  50. Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2
  51. Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)cadmium(II), C60H68O4N12Cl10Cd
  52. Crystal structure of diaqua-diphenanthroline-κ2 N,N′-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-tetrafluorophthalato-κ3 O,O′:O′)didysprosium(III) – phenanthroline (1/2), C80H38Dy2F16N8O18
  53. Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2
  54. Crystal structure of poly[diaqua-(μ2-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ2 O:O′)(μ2-oxalato-κ4O,O:O″,O′″)europium(III)] monohydrate, C9H10N3O9Eu
  55. Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4
  56. Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2
  57. Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2
  58. Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8
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Heruntergeladen am 7.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2022-0215/html
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