Startseite Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C42H36N4O6·H2O
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Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C42H36N4O6·H2O

  • Qing Shi , Qi-Long Zhang ORCID logo EMAIL logo , Hong Xu und Ya-Li Huang
Veröffentlicht/Copyright: 26. April 2021
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 236 Heft 4

Abstract

C42H38N4O7, triclinic, P1‾ (no. 2), a = 11.8563(6) Å, b = 12.6263(6) Å, c = 13.4492(6) Å, α = 113.563(2)°, β = 96.740(2)°, γ = 104.429(2)°, V = 1733.07(15) Å3, Z = 2, Rgt(F) = 0.0470, wRref(F2) = 0.1248, T = 301.72 K.

CCDC no.: 2076784

The molecular 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.

Table 1:

Data collection and handling.

Crystal:Yellow block
Size:0.24 × 0.23 × 0.21 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.09 mm−1
Diffractometer, scan mode:Bruker APEX-II, φ and ω
θmax, completeness:26.0°, 99%
N(hkl)measured, N(hkl)unique, Rint:47,868, 6780, 0.040
Criterion for Iobs, N(hkl)gt:Iobs > 2σ(Iobs), 5360
N(param)refined:495
Programs:Olex2 [1], Bruker [2], Shelx [3], Diamond [4]
Table 2:

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

AtomxyzUiso*/Ueq
O10.67282 (11)0.17824 (11)−0.05327 (10)0.0549 (3)
O20.6140 (2)−0.15380 (18)0.20935 (17)0.1136 (7)
O40.56490 (10)0.41825 (11)0.38665 (9)0.0540 (3)
O50.85768 (14)0.40747 (13)0.36701 (11)0.0694 (4)
O61.01414 (17)−0.07558 (14)0.23454 (16)0.0928 (5)
N10.59053 (11)0.34105 (11)0.08463 (11)0.0437 (3)
H10.61170.31480.02250.052*
N20.76003 (11)0.59836 (11)0.22108 (10)0.0415 (3)
N30.74550 (12)0.61887 (12)0.45091 (11)0.0451 (3)
H30.68480.56290.39890.054*
N40.90252 (13)0.43894 (13)0.19194 (12)0.0516 (3)
H40.88020.46550.25340.062*
C10.73993 (17)−0.20695 (16)−0.08058 (17)0.0616 (5)
H1A0.7592−0.2785−0.10010.074*
C20.70537 (15)−0.15823 (15)0.01654 (16)0.0526 (4)
H20.7016−0.19710.06260.063*
C30.67525 (13)−0.04999 (13)0.04830 (13)0.0402 (3)
C40.63472 (14)0.00249 (15)0.14884 (13)0.0446 (4)
C50.61104 (14)0.10929 (14)0.17492 (13)0.0431 (3)
H50.58630.14270.24040.052*
C60.62166 (12)0.17220 (13)0.10878 (12)0.0375 (3)
C70.59061 (13)0.27939 (13)0.14202 (12)0.0406 (3)
H70.56860.30810.20960.049*
C80.55727 (15)0.45134 (15)0.11765 (15)0.0504 (4)
H8A0.53750.47240.18960.060*
H8B0.48670.43670.06330.060*
C90.65926 (15)0.55664 (14)0.12552 (14)0.0498 (4)
H9A0.68680.53100.05720.060*
H9B0.63010.62400.13260.060*
C100.75461 (17)0.70437 (14)0.31734 (14)0.0506 (4)
H10A0.67120.69810.31610.061*
H10B0.79280.77810.31100.061*
C110.81524 (17)0.71464 (15)0.42733 (14)0.0531 (4)
H11A0.89480.70820.42470.064*
H11B0.82410.79390.48690.064*
C120.76748 (14)0.61120 (14)0.54377 (13)0.0440 (4)
H120.83190.67250.60090.053*
C130.70084 (14)0.51669 (14)0.56429 (12)0.0411 (3)
C140.60062 (13)0.41909 (14)0.47886 (12)0.0419 (3)
C150.54290 (14)0.31796 (14)0.50257 (13)0.0445 (4)
C160.45017 (16)0.21765 (17)0.41887 (15)0.0571 (4)
H160.42480.21790.35090.069*
C170.39626 (19)0.11893 (19)0.43580 (18)0.0708 (6)
H170.33450.05270.37980.085*
C180.4344 (2)0.11853 (19)0.53676 (18)0.0728 (6)
H180.39810.05120.54790.087*
C190.87199 (16)0.10065 (18)0.50848 (18)0.0615 (5)
H190.86670.05380.54740.074*
C200.91004 (15)0.06424 (15)0.41139 (17)0.0543 (4)
H200.9301−0.00710.38540.065*
C210.91929 (13)0.13297 (14)0.35022 (14)0.0437 (4)
C220.95756 (14)0.09777 (14)0.24645 (14)0.0467 (4)
C230.95906 (14)0.16782 (14)0.19058 (14)0.0466 (4)
H230.98160.14250.12310.056*
C240.92879 (13)0.27546 (14)0.22882 (13)0.0432 (3)
C250.93273 (14)0.34164 (15)0.16545 (14)0.0477 (4)
H250.95890.31320.10010.057*
C260.90287 (18)0.50816 (18)0.12679 (16)0.0585 (5)
H26A0.84280.45890.05640.070*
H26B0.98080.52840.11050.070*
C270.87601 (16)0.62363 (16)0.19195 (15)0.0527 (4)
H27A0.93920.67470.26000.063*
H27B0.87530.66840.14780.063*
C280.68638 (13)0.00916 (13)−0.02121 (12)0.0394 (3)
C290.72153 (16)−0.04322 (15)−0.12058 (14)0.0523 (4)
H290.7280−0.0048−0.16700.063*
C300.74651 (18)−0.15052 (17)−0.15024 (16)0.0632 (5)
H300.7679−0.1855−0.21730.076*
C310.66041 (13)0.12407 (13)0.00769 (12)0.0391 (3)
C320.6099 (2)−0.0547 (2)0.22167 (19)0.0730 (6)
H320.5881−0.00970.28570.088*
C330.73386 (15)0.51555 (15)0.66757 (12)0.0454 (4)
H330.79730.58100.72230.054*
C340.67810 (15)0.42366 (15)0.69214 (13)0.0469 (4)
C360.58160 (15)0.31893 (15)0.60675 (13)0.0468 (4)
C370.52430 (18)0.21533 (18)0.62054 (17)0.0626 (5)
H370.54810.21280.68770.075*
C380.88971 (15)0.31522 (15)0.33144 (14)0.0471 (4)
C390.88716 (14)0.23985 (15)0.39186 (14)0.0450 (4)
C400.84899 (17)0.27474 (18)0.49113 (16)0.0580 (4)
H400.82830.34570.51830.070*
C410.84143 (17)0.20636 (19)0.54918 (18)0.0632 (5)
H410.81600.23080.61520.076*
C420.99614 (17)−0.00763 (16)0.19591 (18)0.0621 (5)
H421.0087−0.02550.12480.074*
O3a0.7964 (2)0.5211 (2)0.87907 (15)0.0734 (8)
C35Ab0.724 (3)0.425 (2)0.800 (2)0.0602 (18)
H35Ab0.69840.35420.80960.072*
O3Ab0.6662 (6)0.3918 (5)0.8569 (4)0.096 (2)
C35a0.7162 (12)0.4418 (9)0.8064 (11)0.0602 (18)
H35a0.79050.50110.84670.072*
O1Wc1.1141 (3)−0.2607 (3)0.1164 (3)0.0865 (7)
H1WAc1.1767−0.22860.10010.130*
H1WBc1.0670−0.22150.11040.130*
O1Xd1.1651 (4)−0.2285 (4)0.1835 (4)0.0865 (7)
H1XAd1.1426−0.16610.21040.130*
H1XBd1.2338−0.20800.17070.130*

  1. aOccupancy: 0.672(4), boccupancy: 0.328(4), coccupancy: 0.561(4), doccupancy: 0.439(4).

Source of material

To a solution of 1-naphthol (1 g, 6.9 mmol) in trifluoroacetic acid (10 mL) was added hexamethylenetetramine (1.94 g, 13.8 mmol). The above mixture was heated and stirred for about 1 h. Then concentrated sulfuric acid with a concentration of 33% (10 mL) was added to the stirred solution. The reaction mixture was then stirred and heated for 1 h. Then water was added and the whole solution was extracted by ethyl acetate (30 mL × 2). The mixture was washed with brine and dried and filtered by adding anhydrous magnesium sulfate. The reaction mixture is further purified by column chromatography on silica gel, using ethyl acetate: n-hexane (3:7) as the eluant to afford 1-hydroxy-2,4-diformylnaphthalene as yellow oil. To the solution, 1-hydroxy-2,4-diformylnaphthalene (0.60 g, 3 mmol) in 50 mL ethanol was added tri (2-aminoethyl) amine (0.15 g, 1 mmol). The reaction mixture was refluxed for 8 h, then the solution was cooled to room temperature. The yellow precipitated residue was removed from the solution by filtration and then washed with ethanol and trichloromethane three times. Then a share of the product (0.15 mmol) was dissolved in 20 mL DMF solution. Single crystals were obtained from DMF by slow evaporation at room temperature.

Experimental details

Using Olex2 [1], the structure was solved using Charge Flipping and refined with the ShelXL [3] refinement. All hydrogen atoms were positioned geometrically, with the d (C–H) = 0.97–0.99 Å, Uiso(H) = 1.2 times Ueq(C) and Uiso(H) = 1.5 times Ueq(O).

Comment

Naphthaldehyde based nitrogen rich Schiff bases bear excellent coordinating abilities to act as either multidentate ligands or bridging blocks in supramolecular chemistry and have been highlighted in the literature due to novel structural architectures as well as potential applications of their complexes [5]. In the crystal structure of the title compound, the asymmetric unit of the title compound consists of one formula unit of the target molecule and one water molecule. The bond lengths and bond angles are in the normal ranges [6]. The crystal structure shows that the hydrogen on the hydroxyl oxygen atom of phenol moiety is transferred to the nitrogen atom of imine to form keto-enamine [6]. There are intramolecular hydrogen bonds (for example: N1–H1⋯O1, N3–H3⋯O4, N4–H4⋯O5, C7–H7⋯O4) in the molecules. Through the hydrogen bond of O1W–H1WA⋯O1, O1W–H1WB⋯O6 the interaction between the target and water molecules extends into a dimer structure. The water molecule and one of the aldehyde groups show a disorder.

Corresponding author: Qi-Long Zhang, School of Basic Medical Science, Guizhou Medical University, Guiyang, 550025, People’s Republic of China, E-mail:

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: 22065009

Award Identifier / Grant number: 22066007

Funding source: Preventive Medicine

Award Identifier / Grant number: 2017[85]

Funding source: Science and Technology Foundation of Guizhou Province

Award Identifier / Grant number: [2019]2792

Award Identifier / Grant number: [2018]5779-14

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

  2. Research funding: This work was supported by and the National Natural Science Foundation of China (22065009, 22066007) and Preventive Medicine (No. 2017[85]), Science and Technology Foundation of Guizhou Province (grant numbers [2019]2792, [2018]5779-14).

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

References

1. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., Puschmann, H. OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Crystallogr. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.Suche in Google Scholar

2. Bruker. APEX2, SAINT and SADABS; Bruker AXS Inc.: Madison, Wisconsin, USA, 2012.Suche in Google Scholar

3. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8; https://doi.org/10.1107/s2053229614024218.Suche in Google Scholar

4. Brandenburg, K. DIAMOND. Visual Crystal Structure Information System. Ver. 4.0; Crystal Impact: Bonn, Germany, 2015.Suche in Google Scholar

5. Naskar, B., Modak, R., Mait, D. K., Drew, M. G. B., Bauza, A., Frontera, A., Mukhopadhyay, C. D., Mishra, S., Saha, K. D., Goswami, S. A Schiff base platform: structures, sensing of Zn(II) and PPi in aqueous medium and anticancer activity. Dalton Trans. 2017, 46, 9498–9510; https://doi.org/10.1039/c7dt01932g.Suche in Google Scholar

6. Park, H., Kim, J., Kwon, E., Kim, T. H. Crystal structure of flucetosulfuron. Acta Crystallogr. 2017, E73, 1439–1442; https://doi.org/10.1107/s2056989017012737.Suche in Google Scholar

Received: 2021-03-31
Accepted: 2021-04-12
Published Online: 2021-04-26
Published in Print: 2021-07-27

© 2021 Qing Shi et al., 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
  3. Crystal structure of poly[(μ2-aqua-tetraaqua-(μ3-glutarato-κ4O,O′:O′:O′′)-(μ5-glutarato-κ6O:O,O′:O′:O′′:O′′′)distrontium(II)], C10H22O13Sr2
  4. The crystal structure of acetato-κ1O-{(2-(2-(2-aminophenoxy)ethoxy)phenyl)(4-oxo-4-phenylbut-2-en-2-yl)amido-κ2N,N′,O}copper(II), C26H26CuN2O5
  5. Crystal structure of dimethanolato-k2O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C34H32Cu2N12O2S2
  6. Crystal structure of poly[diaqua-bis(μ2-3-(pyrimidin-5-yl)benzoato-κ2N:O)cobalt(II)] dihydrate, [Co(C11H11O2N2)2(H2O)2]
  7. Crystal structure of bis(3,3-dimethyl-1-phenylbut-1-en-2-yl)(trimethylsilyl)amido-k1N)zinc(II), Zn(C15H24NSi)2
  8. Crystal structure of catena-poly[(μ2-methanolato-κ2O:O)-(μ2-1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)-(thiocyanato-κ1N)copper(II)] 0.25 hydrate, C17H16CuN6OS ⋅ 0.5H2O
  9. The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2
  10. The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C6H9ClN2O7
  11. Crystal structure of 7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene from Arundina graminifolia, C16H16O3
  12. Crystal structure of 6,6′-((1E, 1′E)-(((1R, 2R)-1,2-diphenylethane-1,2-diyl) bis(azanylylidene))bis(methanylylidene))bis(2-ethylphenol), C32H32N2O2
  13. The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C6H9IN2O3
  14. The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H11BF2N2
  15. Crystal structure of bis{(2-pyridinyl)-1-phenyl-1-isopropylmethanolato-κ2N,O}nickel, C30H32N2NiO2
  16. Crystal structure of poly[(m3-3-carboxyadamantane-1-carboxylato-κ3O:O′:O″)-(phenanthroline-κ2N,N′)sodium(II)], C24H23N2NaO4
  17. Crystal structure of 2-phenylethynyl-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C22H20B2F4N4
  18. Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C16H20N2O
  19. The crystal structure of (3Z,3′Z)-4,4′-((1,4-phenylenebis(methylene))bis(azanediyl))bis(pent-3-en-2-one), C18H24N2O2
  20. Crystal structure of (morpholine-1-carbodithioato-κ2-S,S′)bis(triphenylphosphine-κ-P)gold(I), C41H38AuNOP2S2
  21. Crystal structure of 1,4-bis(4-bromobenzyl)-4-(4-chlorophenyl)-1,4-dihydropyridine-3-carbonitrile, C26H19Br2ClN2
  22. The crystal structure of fac-tricarbonyl (N′-benzoyl-N,N-diphenylcarbamimidothioato-κ2S,O)-(pyrazole-κN)rhenium(I) — methanol (1/1) C26H23O4N4SRe
  23. The crystal structure of Ba2Mn(SeO3)2Cl2 containing 1∞[Mn(SeO3)2Cl2]4− chains
  24. Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C42H36N4O6·H2O
  25. The crystal structure of 4-(6-acetyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)benzonitrile, C14H12N6O
  26. Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5
  27. The crystal structure of ethyl 5-methyl-7-(4-(phenylthio)phenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C20H19N5O2S
  28. Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO
  29. Synthesis and crystal structure of 4-(2,4-dinitrophenoxy)benzaldehyde, C13H8N2O6
  30. The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C17H32BrNO
  31. Crystal structure of (E)-amino(2-(4-(dimethylamino)benzylidene)hydrazineyl)methaniminium nitrate, C10H16N6O3
  32. Crystal structure of (E)-(2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methaniminium nitrate monohydrate, C6H12N6O4
  33. The crystal structure of hexakis(1-propylimidazole-κ1N)copper(II) dichloride, C36H60Cl2CuN12
  34. The crystal structure of bis{(μ2-3,3-dimethyl-1-phenylbut-1-en-2-yl)((dimethylamino)dimethylsilyl)amido-κ3N,N′:N′}dilithium, C32H54Li2N4Si2
  35. The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2
  36. Crystal structure of (E)-N-(1-((2-chlorothiazol-5-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide, C11H7ClF3N3OS
  37. Crystal structure of N′, N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis (methaneylylidene))di(picolinohydrazide) – water – methanol (1/1/1), C25H24N8O2·H2O·CH3OH
  38. Crystal structure of 3-(2-chloro-benzyl)-7-[4-(2-chloro-benzyl)-piperazin-1-yl]-5,6,8-trifluoro-3H-quinazolin-4-one, C26H21Cl2F3N4O
  39. Crystal structure of N1,N2-bis(2-fluorobenzyl)benzene-1,2-diamine,C20H18F2N2
  40. The crystal structure of 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C17H13BN2O2
  41. The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene)) bis(2-bromo-4-nitrophenol) — dimethylsulfoxide (1/2), C14H8Br2N4O6⋅2(C2H6OS)
  42. Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C13H17Cl2NO2
  43. Crystal structure of bis{tetraaqua-[μ3-1-(4-carboxylatophenyl)-5-methyl-1H-pyrazole-3-carboxylate-κ4N,O,O′,O″] [μ2-1-methyl-1H-pyrazole-3,5-dicarboxylate-κ3N,O:O]dicobalt(II)} dihydrate, C36H44Co4N8O26
  44. Crystal structure of diethyl-2,2′-naphthalene-2,3-diylbis(oxy)diacetate, C18H20O6
  45. Synthesis and crystal structure of poly[(μ3-2-(2-carboxylatophenyl)-1H-benzo[d]imidazole-5-carboxylato-κO,O′:O′;:O″, O″′)-(μ2-1-(4-(1Himidazol-1-yl)phenyl)-1H-imidazole-κ2N:N′)cadmium(II)], C27H18CdN6O4
  46. The crystal structure of catena-poly[diaqua-bis(μ2-2-((2-(2-phenylacetyl)hydrazineylidene)methyl)benzoato-κ2O:O')zinc(II)], C32H30N4O8Zn
  47. The crystal structure of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-naphtho [1,8-de][1,3,2]diazaborinine, C18H17BN2O2
  48. The crystal structure of hexakis(1-ethylimidazole-κ1N)nickel(II) dichloride – 1-ethylimidazole (1/2), C40H64Cl2NiN16
  49. Crystal structure of diaqua-bis(2,4-dinitrophenolato-κ2O,O′)copper(II) 1.5 hydrate, C12H13CuN4O13.5
  50. Crystal structure of N′,N‴-((1E,1′E)-((decane-1,10-diylbis(oxy))bis(2,1-phenylene)) bis(methaneylylidene))di(isonicotinohydrazide), C36H40N6O4
  51. The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
  52. Synthesis and crystal structure of (1E,2E)-3-(anthracen-9-yl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime, C24H19NO2
  53. Synthesis and crystal structure of (2E,2′E)-3,3′-(1,3-phenylene)bis(1-(3-bromophenyl)prop-2-en-1-one), C24H16Br2O2
  54. The crystal structure of catena-poly[bis(µ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene- κ2N:N′)-bis(nitrato-κO)copper(II)], C28H28N10O6Cu
  55. Synthesis and crystal structure of the novel chiral acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline, C23H18N2OS
  56. Crystal structure of (E)-3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, C9H11NOS
  57. Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3N,O,O′)-(μ2-4-amino-4H-1,2,4-triazole-κ2N:N′) copper(II)], C9H8N5O5CuI
  58. Crystal structure of cyclopropane-1,2,3-triyltris(phenylmethanone), C24H18O3
  59. Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C12H18N8O4S2
  60. A three-dimensional Eu(III) framework in the crystal structure of dimethylaminium poly[dimethylformamide-κ1N)bis(μ4-terephthalato-κ4O:O′:O′′:O′′′)europium(III)] monohydrate, C21H25EuN2O10
  61. Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4
  62. The crystal structure of Hexakis(diethylamido)dimolybdenum, Mo2(NEt2)6
https://doi.org/10.1515/ncrs-2021-0120
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of poly[(μ2-aqua-tetraaqua-(μ3-glutarato-κ4O,O′:O′:O′′)-(μ5-glutarato-κ6O:O,O′:O′:O′′:O′′′)distrontium(II)], C10H22O13Sr2
  4. The crystal structure of acetato-κ1O-{(2-(2-(2-aminophenoxy)ethoxy)phenyl)(4-oxo-4-phenylbut-2-en-2-yl)amido-κ2N,N′,O}copper(II), C26H26CuN2O5
  5. Crystal structure of dimethanolato-k2O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C34H32Cu2N12O2S2
  6. Crystal structure of poly[diaqua-bis(μ2-3-(pyrimidin-5-yl)benzoato-κ2N:O)cobalt(II)] dihydrate, [Co(C11H11O2N2)2(H2O)2]
  7. Crystal structure of bis(3,3-dimethyl-1-phenylbut-1-en-2-yl)(trimethylsilyl)amido-k1N)zinc(II), Zn(C15H24NSi)2
  8. Crystal structure of catena-poly[(μ2-methanolato-κ2O:O)-(μ2-1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)-(thiocyanato-κ1N)copper(II)] 0.25 hydrate, C17H16CuN6OS ⋅ 0.5H2O
  9. The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2
  10. The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C6H9ClN2O7
  11. Crystal structure of 7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene from Arundina graminifolia, C16H16O3
  12. Crystal structure of 6,6′-((1E, 1′E)-(((1R, 2R)-1,2-diphenylethane-1,2-diyl) bis(azanylylidene))bis(methanylylidene))bis(2-ethylphenol), C32H32N2O2
  13. The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C6H9IN2O3
  14. The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H11BF2N2
  15. Crystal structure of bis{(2-pyridinyl)-1-phenyl-1-isopropylmethanolato-κ2N,O}nickel, C30H32N2NiO2
  16. Crystal structure of poly[(m3-3-carboxyadamantane-1-carboxylato-κ3O:O′:O″)-(phenanthroline-κ2N,N′)sodium(II)], C24H23N2NaO4
  17. Crystal structure of 2-phenylethynyl-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C22H20B2F4N4
  18. Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C16H20N2O
  19. The crystal structure of (3Z,3′Z)-4,4′-((1,4-phenylenebis(methylene))bis(azanediyl))bis(pent-3-en-2-one), C18H24N2O2
  20. Crystal structure of (morpholine-1-carbodithioato-κ2-S,S′)bis(triphenylphosphine-κ-P)gold(I), C41H38AuNOP2S2
  21. Crystal structure of 1,4-bis(4-bromobenzyl)-4-(4-chlorophenyl)-1,4-dihydropyridine-3-carbonitrile, C26H19Br2ClN2
  22. The crystal structure of fac-tricarbonyl (N′-benzoyl-N,N-diphenylcarbamimidothioato-κ2S,O)-(pyrazole-κN)rhenium(I) — methanol (1/1) C26H23O4N4SRe
  23. The crystal structure of Ba2Mn(SeO3)2Cl2 containing 1∞[Mn(SeO3)2Cl2]4− chains
  24. Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C42H36N4O6·H2O
  25. The crystal structure of 4-(6-acetyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)benzonitrile, C14H12N6O
  26. Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5
  27. The crystal structure of ethyl 5-methyl-7-(4-(phenylthio)phenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C20H19N5O2S
  28. Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO
  29. Synthesis and crystal structure of 4-(2,4-dinitrophenoxy)benzaldehyde, C13H8N2O6
  30. The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C17H32BrNO
  31. Crystal structure of (E)-amino(2-(4-(dimethylamino)benzylidene)hydrazineyl)methaniminium nitrate, C10H16N6O3
  32. Crystal structure of (E)-(2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methaniminium nitrate monohydrate, C6H12N6O4
  33. The crystal structure of hexakis(1-propylimidazole-κ1N)copper(II) dichloride, C36H60Cl2CuN12
  34. The crystal structure of bis{(μ2-3,3-dimethyl-1-phenylbut-1-en-2-yl)((dimethylamino)dimethylsilyl)amido-κ3N,N′:N′}dilithium, C32H54Li2N4Si2
  35. The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2
  36. Crystal structure of (E)-N-(1-((2-chlorothiazol-5-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide, C11H7ClF3N3OS
  37. Crystal structure of N′, N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis (methaneylylidene))di(picolinohydrazide) – water – methanol (1/1/1), C25H24N8O2·H2O·CH3OH
  38. Crystal structure of 3-(2-chloro-benzyl)-7-[4-(2-chloro-benzyl)-piperazin-1-yl]-5,6,8-trifluoro-3H-quinazolin-4-one, C26H21Cl2F3N4O
  39. Crystal structure of N1,N2-bis(2-fluorobenzyl)benzene-1,2-diamine,C20H18F2N2
  40. The crystal structure of 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C17H13BN2O2
  41. The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene)) bis(2-bromo-4-nitrophenol) — dimethylsulfoxide (1/2), C14H8Br2N4O6⋅2(C2H6OS)
  42. Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C13H17Cl2NO2
  43. Crystal structure of bis{tetraaqua-[μ3-1-(4-carboxylatophenyl)-5-methyl-1H-pyrazole-3-carboxylate-κ4N,O,O′,O″] [μ2-1-methyl-1H-pyrazole-3,5-dicarboxylate-κ3N,O:O]dicobalt(II)} dihydrate, C36H44Co4N8O26
  44. Crystal structure of diethyl-2,2′-naphthalene-2,3-diylbis(oxy)diacetate, C18H20O6
  45. Synthesis and crystal structure of poly[(μ3-2-(2-carboxylatophenyl)-1H-benzo[d]imidazole-5-carboxylato-κO,O′:O′;:O″, O″′)-(μ2-1-(4-(1Himidazol-1-yl)phenyl)-1H-imidazole-κ2N:N′)cadmium(II)], C27H18CdN6O4
  46. The crystal structure of catena-poly[diaqua-bis(μ2-2-((2-(2-phenylacetyl)hydrazineylidene)methyl)benzoato-κ2O:O')zinc(II)], C32H30N4O8Zn
  47. The crystal structure of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-naphtho [1,8-de][1,3,2]diazaborinine, C18H17BN2O2
  48. The crystal structure of hexakis(1-ethylimidazole-κ1N)nickel(II) dichloride – 1-ethylimidazole (1/2), C40H64Cl2NiN16
  49. Crystal structure of diaqua-bis(2,4-dinitrophenolato-κ2O,O′)copper(II) 1.5 hydrate, C12H13CuN4O13.5
  50. Crystal structure of N′,N‴-((1E,1′E)-((decane-1,10-diylbis(oxy))bis(2,1-phenylene)) bis(methaneylylidene))di(isonicotinohydrazide), C36H40N6O4
  51. The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
  52. Synthesis and crystal structure of (1E,2E)-3-(anthracen-9-yl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime, C24H19NO2
  53. Synthesis and crystal structure of (2E,2′E)-3,3′-(1,3-phenylene)bis(1-(3-bromophenyl)prop-2-en-1-one), C24H16Br2O2
  54. The crystal structure of catena-poly[bis(µ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene- κ2N:N′)-bis(nitrato-κO)copper(II)], C28H28N10O6Cu
  55. Synthesis and crystal structure of the novel chiral acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline, C23H18N2OS
  56. Crystal structure of (E)-3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, C9H11NOS
  57. Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3N,O,O′)-(μ2-4-amino-4H-1,2,4-triazole-κ2N:N′) copper(II)], C9H8N5O5CuI
  58. Crystal structure of cyclopropane-1,2,3-triyltris(phenylmethanone), C24H18O3
  59. Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C12H18N8O4S2
  60. A three-dimensional Eu(III) framework in the crystal structure of dimethylaminium poly[dimethylformamide-κ1N)bis(μ4-terephthalato-κ4O:O′:O′′:O′′′)europium(III)] monohydrate, C21H25EuN2O10
  61. Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4
  62. The crystal structure of Hexakis(diethylamido)dimolybdenum, Mo2(NEt2)6
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Heruntergeladen am 15.11.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2021-0120/html
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