Startseite Naturwissenschaften Crystal structure of (E)-4-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H19N3O4
Artikel Open Access

Crystal structure of (E)-4-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H19N3O4

  • Hui Pan EMAIL logo , De-Li Xia und Gui-Ge Hou ORCID logo
Veröffentlicht/Copyright: 16. September 2025
Artikel downloaden (PDF)
Veröffentlichen auch Sie bei De Gruyter Brill
Manuskript einreichen Informationen für Autor*innen
Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 240 Heft 6

Abstract

C21H19N3O4, triclinic, P 1 ‾ (no. 2), a = 7.1708(3) Å, b = 9.1832(4) Å, c = 14.0711(6) Å, α = 80.297(4)°, β = 88.910(3)°, γ = 69.639(4)°, V = 855.49(7) Å3, Z = 2, R gt (F) = 0.0372, wR ref (F2) = 0.0975, T = 100 K.

CCDC no.: 2418113

The molecular structure is shown in the figure. Displacement ellipsoids are drawn at the 50 % probability level.

Table 1 contains the crystallographic data and the list of the atoms including atomic coordinates and displacement parameters can be found in the cif-file attached to this article.

Table 1:

Data collection and handling.

Crystal: Clear light colourless block
Size: 0.14 × 0.13 × 0.10 mm
Wavelength:

μ:		 CuKα radiation (1.54184 Å)

0.85 mm−1
Diffractometer, scan mode:

θmax, completeness:		 XtaLAB Synergy R, ω scan

73.3°, 100 %
N(hkl)measured, N(hkl)unique, Rint: 9353, 3319, 0.027
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3,143
N(param)refined: 256
Programs: Rigaku, 1 SHELX 2 , 3

1 Source of material

The parent nucleus, 6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one was obtained by the synthesis method in ref. 4]. Next, 1,2,4-triazole (10.89 g, 0.16 mol), and potassium carbonate (27.64 g, 0.20 mol) were mixed in N,N-dimethylformamide (10 mL) solvent. The mixture was heated and refluxed at 353 K for 4 h. Then, p-fluorobenzaldehyde (2.48 g, 0.02 mol) was added to the reaction and reacted at 373 K for another 5 h. When the reaction was completed, the mixture was cooled to room temperature. After filtration and vacuum distillation, the residue was purified on a silicagel column with dichloromethane/methanol (30:1, v:v) to obtain the intermediate. 5 , 6 Using a 25 % aqueous sodium hydroxide solution as a catalyst, the parent nucleus (2.22 g, 0.01 mol) and the intermediate (1.73 g, 0.01 mol) were dissolved in methanol. The system was stirred at room temperature for 5 h. The title compound, was obtained from a mixture of dichloromethane and methanol (1:1, v:v) at room temperature.

2 Experimental details

The H atoms were placed in idealized positions and treated as riding on their parent atoms, with d(C–H) = 0.98 Å (methyl), Uiso(H) = 1.5Ueq (C), and d(C–H) = 0.99 Å (methylene), Uiso(H) = 1.2Ueq (C), and d(C–H) = 0.95 Å (aromatic), Uiso(H) = 1.2Ueq (C).

3 Comment

Previous research revealed that some benzoxazepine derivatives exhibit significant anti-inflammatory effects. 7 Under base catalysis, the 3,4-dihydrobenzo[b]oxepin-5(2H)-one and 4-(1H-1,2,4-triazol-1-yl)benzaldehyde formed an α,β-unsaturated ketone through the Claisen–Schmidt reaction. This structural characteristic endow the compound has high reactivity. 8 To further enhance the activity of the compound, we introduced a nitrogen-containing heterocycle at the C(15) position. 9 The 1,2,4-triazole moiety, a common five-membered aromatic heterocycle, plays a crucial role in molecular interactions. And the N–H group can act as a hydrogen bond donor to interact with biological targets. In addition, the difference in electronegativity between the C and N atoms allows the triazole to have a low logP value, thus exhibiting the potential to improve the aqueous solubility of the compound. 10 , 11 Based on the skeletal combination strategy, 12 the benzoxepine derivative with the nitrogen-containing heterocyclic ring was designed to be combined to obtain target compound.

The molecular structure of the title compound is shown in the figure. The structure of the drug molecule contains an α,β-unsaturated ketone. 13 Precisely because of the structural characteristics, the substituted benzene ring forms a large dihedral angle between the central parent nucleus and the substituted benzene ring. The dihedral angle is about 23.67(2)° between their planes. The torsion angle of O(2) = C(1)–C(2) = C(11) is about 7.51(18)° and the torsion angle of C(1)–C(2) = C(11)–C(12) is about 176.29(12)°. Structurally, the compound central parent nucleus is 6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one. 14 Therein, the bond lengths of C(1)–O(2), C(4)–O(1) and C(10)–O(1) are 1.2219(16) Å, 1.4429(16) Å and 1.3844(15) Å, respectively. The oxygen atom of the parent nucleus has an obvious torsion. The torsion angles of C(2)–C(3)–C(4)–O(1) and C(9)–C(10)–O(1)–C(4) are 43.95(14)° and −80.68(14)°. The 1,2,4-triazole substituted at the C(15) position. In the nitrogen-containing heterocycle, the bond lengths of N(1)–N(2), C(18)–N(1), C(18)–N(3), C(19)–N(2) and C(19)–N(3) are 1.3660(14) Å, 1.3192(17) Å, 1.3192(17) Å, 1.3548(17) Å and 1.3548(17) Å, respectively. Overall, the incorporation of these nitrogen-containing heterocycles facilitates the biological activity of the compounds. 15 , 16

Corresponding author: Hui Pan, Materials Department, China National Intellectual Property Administration, Beijing, 100088, P.R. China, E-mail:

Acknowledgments

This work was supported by Shandong Provincial Natural Science Foundation (Nos. ZR2023MH022 and ZR2023MH190) and the Yantai Science and Technology Innovation Development Plan (No. 2022XDRH003).

References

1. Rigaku, O. D. CrysAlisPRO; Rigaku Oxford Diffraction Ltd: Yarnton, Oxfordshire, England, 2017.Suche in Google Scholar

2. Sheldrick, G. M. A Short History of Shelx. Acta Crystallogr. 2008, A64, 112–122; https://doi.org/10.1107/s0108767307043930.Suche in Google Scholar PubMed

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. Gao, C. L.; Hou, G. G.; Liu, J.; Ru, T.; Xu, Y. Z.; Zhao, S. Y.; Ye, H.; Zhang, L. Y.; Chen, K. X.; Guo, Y. W.; Pang, T.; Li, X. W. Synthesis and Target Identification of Benzoxepane Derivatives as Potential Anti-neuroinflammatory Agents for Ischemic Stroke. Angew. Chem., Int. Ed. 2020, 59, 2429–2439; https://doi.org/10.1002/anie.201912489.Suche in Google Scholar PubMed

5. Sun, Y.; Gao, Z. F.; Wang, C. H.; Hou, G. G. Synthesis, Crystal Structures and Anti-inflammatory Activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[h]quinazolin-2-amine Derivatives. Acta Crystallogr. C 2019, 75 (Pt 8), 1157–1165; https://doi.org/10.1107/s2053229619010118.Suche in Google Scholar

6. Yao, B. R.; Li, N.; Wang, C. H.; Hou, G. G.; Meng, Q. G.; Yan, K. Novel Asymmetric 3,5-bis(arylidene)piperidin-4-one Derivatives: Synthesis, Crystal Structures and Cytotoxicity. Acta Crystallogr. C 2018, 74 (Pt 6), 659–665; https://doi.org/10.1107/s2053229618006605.Suche in Google Scholar

7. Yang, Y.; Gao, Z. F.; Hou, G. G.; Meng, Q. G.; Hou, Y. Discovery of Anti-neuroinflammatory Agents from 1,4,5,6-tetrahydrobenzo[2,3]oxepino[4,5-d]pyrimidin-2-amine Derivatives by Regulating Microglia Polarization. Eur. J. Med. Chem. 2023, 259, 115688; https://doi.org/10.1016/j.ejmech.2023.115688.Suche in Google Scholar PubMed

8. Luan, M. Z.; Zhang, X. F.; Yang, Y.; Meng, Q. G.; Hou, G. G. Anti-Inflammatory Activity of fluorine-substituted benzo[h]quinazoline-2-amine Derivatives as NF-κB Inhibitors. Bioorg. Chem. 2023, 132, 106360; https://doi.org/10.1016/j.bioorg.2023.106360.Suche in Google Scholar PubMed

9. Chen, Y.; Wang, J. P.; Wang, M. D.; Yu, W. X.; Cui, Y. T.; Gao, H. X.; Hou, G. G.; Ren, Y. Crystal Structure of (E)-2-(4-(1H-imidazole-1-yl)benzylidene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one, C20H15FN2O. Z. Kristallogr. - N. Cryst. Struct. 2025, 240 (1), 19–21; https://doi.org/10.1515/ncrs-2024-0294.Suche in Google Scholar

10. Guan, Q. W.; Xing, S. S.; Wang, L.; Zhu, J. W.; Guo, C.; Xu, C. L.; Zhao, Q.; Wu, Y. L.; Chen, Y.; Sun, H. P. Triazoles in Medicinal Chemistry: Physicochemical Properties, Bioisosterism, and Application. J. Med. Chem. 2024, 67 (10), 7788–7824; https://doi.org/10.1021/acs.jmedchem.4c00652.Suche in Google Scholar PubMed

11. Wang, N.; Guo, H. M.; Hou, G. G.; Hu, X. Y.; Meng, Q. G. N-Cyclo-propyl-N-[2-(2,4-difluoro-phen-yl)-2-hy-droxy-1-(1H-1,2,4-triazol-1-yl) prop-yl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-yl)acetamide dichloro-methane 0.62-solvate. Acta Crystallogr. 2011, 67 (Pt 9), o2464; https://doi.org/10.1107/s1600536811034295.Suche in Google Scholar PubMed PubMed Central

12. Li, W. X.; Yu, L.; Chi, J. B.; Wang, J. P.; Liu, Y. J.; Wang, C. H.; Zhang, M.; Hou, G. G. Discovery of Anti-inflammatory Agents from 3, 4-dihydronaphthalene-1(2H)-one Derivatives by Inhibiting NLRP3 Inflammasome Activation. Eur. J. Med. Chem. 2024, 268, 116284; https://doi.org/10.1016/j.ejmech.2024.116284.Suche in Google Scholar PubMed

13. Yu, L.; Xia, D. L.; Chen, Y.; Miao, Y. H.; Xu, R.; Pan, Y. X.; Li, Y. L.; Li, W. X.; Hou, Y.; Liu, Y. J.; Hou, G. G.; Zhao, J. B.; Zhang, L. Novel 3,4-dihydronaphthalen-1(2H)-one Derivatives Promote Apoptosis and Inhibit Migration of Hepatocellularcarcinoma Cells via Inhibition of NF-κB and MAPK Signaling Pathways. Eur. J. Med. Chem. 2025, 296, 117898; https://doi.org/10.1016/j.ejmech.2025.117898.Suche in Google Scholar PubMed

14. Xia, D. L.; Wang, J. P.; Yu, W. X.; Wang, M. D.; Gao, H. X.; Cui, Y. T.; Hou, G. G. Crystal Structure of (E)-6,8-dimethoxy-4-(4-morpholinobenzylidene)-3, 4-dihydro-1-benzoxepin-5(2H)-one, C23H25NO5. Z. Kristallogr. - N. Cryst. Struct. 2024, 239, 1133–1136; https://doi.org/10.1515/ncrs-2024-0329.Suche in Google Scholar

15. Wei, Q. Q.; Yin, Y. Y.; Qiao, Y. X.; Ni, H.; Han, S. Y.; Yao, Y.; Li, Y. F.; Zhang, L. M.; Li, J. Anxiolytic-Like Effects of YL-IPA08, a Potent Ligand for the Translocator Protein (18 kDa) via Regulating the Synaptic Plasticity in Hippocampus. Eur. J. Pharmacol. 2024, 969, 176394; https://doi.org/10.1016/j.ejphar.2024.176394.Suche in Google Scholar PubMed

16. Shen, W.; Chen, H.; Wu, M.; Zhang, T.; Zhu, L.; Zhao, Y. Synthesis, Cytotoxicity, Anti-migration and Anti-invasion Activity of Diphyllin Heterocyclic Derivatives. Med. Chem. 2022, 18, 122–129; https://doi.org/10.2174/1573406417666201221160220.Suche in Google Scholar PubMed

Received: 2025-06-30
Accepted: 2025-08-21
Published Online: 2025-09-16
Published in Print: 2025-12-17

© 2025 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
  3. The crystal structure of (1Z, 2Z)-3-phenyl-2-propenal 2-(4-bromo-2-fluorophenyl)hydrazone, C15H12BrFN2
  4. Refinement of crystal structure of 2-(2,3-dihydro-3-oxo-1 H -inden-1-ylidene)-1 H -indene-1,3(2 H )-dione C18H10O3
  5. The crystal structure of 3-(1-fluoro-2-(naphthalen-2-yl)-2-oxoethyl)-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one, C22H18FNO3
  6. Crystal structure of the dinuclear copper(II) complex bis(μ2-2,2′ -{[1,3-phenylenebis-(methylene)]bis(oxy)}dibenzoaot-κ4O,O′:O′′,O′′′)-bis(dimethylformamide-κ1O)dicopper(II), C50H44Cu2N2O14
  7. Crystal structure of poly[triaqua-(μ9-biphenyl-3,3′,5,5′-tetracarboxylic-κ8 O,O:O,O′: O,O″:O,O‴)samarium(III)sodium(I)], C16H12NaSmO11
  8. The crystal structure of 5-benzyl-1-(4-fluorobenzyl)-4-((4-fluorobenzyl)oxy)-1,5-dihydro-2H-pyrrol-2-one, C25H21F2NO2
  9. The crystal structure of diammonium 2,5-dihydroxyterephthalate, C8H12N2O6
  10. Crystal structure of (E)-4-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H19N3O4
  11. Crystal structure of poly[oktakis(μ2-oxido-κ2O:O)-tetrakis(oxido-κ1O)-bis(μ2-1,1′-[1,4-phenylenebis(methylene)]di(1H-imidazole-κ2N:N′))-tetravanadium(V)-dizinc(II)] monohydrate, C28H30Zn2N8O13V4
  12. Crystal structure of acotiamide hydrochloride dimethylacetamide solvate (1/1), C25H40ClN5O6S
  13. Crystal structure of catena-poly[monoaqua (u2-(3-(3,5-dicarboxyphenyl)pyridine-2,6-dicarboxylic-k4O:O′:O″:N)zinc(II))] monohydrate, C15H11NO10Zn
  14. Crystal structure of dichlorido{2,6-bis(3,5-diisopropyl-N-pyrazolyl)pyridine}zinc(II), C23H33Cl2N5Zn
  15. Crystal structure of nitrato-κ2O,O′-[hydridotris(3,5-diethylpyrazol-1-yl)borato-κ3N,N′,N″]copper(II), C21H34BCuN7O3
  16. Crystal structure of 2,7-bis(3,5-diethyl-1H-pyrazol-4-yl)-benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, C28H26N6O4
  17. Crystal structure of 2-(4-chlorophenyl)benzothiazole, C13H8ClNS
  18. Synthesis and crystal structure (3R,4′S)-4′-(3,5-dibromophenyl)-1′-methyl-2H-dispiro [benzofuran-3,3′-pyrrolidine-2′,2″-indene]-1″,2,3″-trione, C26H17Br2NO4
  19. Crystal structure of bis(((3a,7a-dihydro-1H-benzo[d][1,2,3]triazol-1-yl)methyl) triphenylphosphonium) tetrachloridomanganate(II), C50H42Cl4MnN6P2
  20. The crystal structure of 4,9-bis(4-chlorophenyl)-1,6-bis(2-cyanobenzyl)-2,4a,5,6,7,7a-hexahydro-1H-2,7,5-(epiprop[2]ene[1,1,3]triyl)pyrrolo[3,4-b]pyridine-3,10-dicarbonitrile, C40H26Cl2N6
  21. The crystal structure of poly((μ2-3-(3-nitro-4-carboxylphenyl)benzoate-κ3O, O′:O″)-μ2-1,4-bis(1-imidazolyl)benzene-κ2N:N′-cadmium(II)), C26H17N5O6Cd
  22. The crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione monohydrate, C7H6N2O4
  23. Crystal structure of 4-((cyclohexylsulfonyl)methyl)-1,2,3,4-tetrahydrobenzo [4,5]imidazo[1,2-a]pyridine, C18H24N2O2S
  24. Crystal structure of 4,7-diphenyl-1,10-phenanthroline-κ2N,N′)-bis(2,4-di(fluorine)-1-phenylpyridine-κ2C,N)-iridium(III) hexafluorophosphate–dichloromethane (1/1), C47H30Cl2F10IrN4P
  25. Crystal structure of (4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid, C19H15BN2O2
  26. The crystal structure of (E)-(2-((pyridin-2-ylmethylene)amino)phenyl)arsonic acid, C12H11AsN2O3
  27. The crystal structure of N(benzyl(phenyl)carbomothioyl)benzamide, C21H18N2OS
  28. The crystal structure of bis(2-picolinium) hexachlorostannate dichloromethane monosolvate, C13H18Cl8N2Sn
  29. Crystal structure of poly[tetraaqua-bis(μ4-3–1-(carboxylatomethyl)-1H-1,2,4-triazole-3-carboxylato)-κ4O:O′,O″,N)zinc(II)], C5H7N3O6Zn
  30. The crystal structure of the co-crystal isonicotinamide – 2-(nitrophenyl)methanol (1/1), C6H6N2O·C7H7NO3
  31. The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2-fluorobenzoate hydrate, C23H25F2N3O6
  32. Crystal structure of [diaqua-{1H-benzo[d]imidazol-3-ium-5,6-dicarboxylato-κ2O,O′}magnesium(II)] C18H14MgN4O10
  33. Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl) (2-iodo-5-methoxyphenyl)methanone, C20H20INO5
  34. The crystal structure of 3,7,11-trimethylbenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazine 5,5,9,9-tetraoxide, C21H17NO4S2
  35. Crystal structure of tris(piperazine-1,4-diium)bis(2-hydroxy-1,2,3-propane-tricarboxylate) pentahydrate, C24H56N6O19
  36. Crystal structure of 2-chloro-5-((5-isopropyl-2-methylphenoxy)methyl)pyridine, C16H18ClNO
  37. Crystal structure of (E)-4-(4-(1H-pyrrol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[(b)]oxepin-5(2H)-one, C23H21NO4
  38. Crystal structure of (E)-N′-(3,4-dichlorobenzylidene)-3,4,5-trimethoxybenzohydrazide, C17H16Cl2N2O4
  39. The crystal structure of 2-(2-hydroxyphenyl)-3-(pyridin-2-yl)-2,3- dihydroquinazolin-4(1H)-one, C19H15N3O2
  40. Crystal structure of 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methylchroman-4-one, C17H16O5
  41. Crystal structure of bis[(3,4-dimethoxybenzyl)triphenylphosphonium]di-μ2-bromido-dibromidodicopper(I)
  42. Crystal structure of bis [(1,3-dioxolan-2-ylmethyl)triphenylphosphonium] tetrabromidodicopper(I), C22H22Br2CuO2P
  43. Crystal structure of [1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid], C12H8N2O5
  44. The crystal structure of one-dimensional cooridnation polymer bis(thiocyanato)-bis((1E,2E)-1,2-bis(1-(pyridin-3-yl)ethylidene)-hydrazine κ2N:N)iron(II), (C30H28N10S2Fe)n
  45. Crystal structure of ((4-acetamidophenyl)sulfonyl)-l-alanine, C11H14N2O5S
  46. Crystal structure of [(1-naphthalen-1-yl-methyl)triphenylphosphonium] dichloridocopper(I), [C29H24P]+[CuCl2]−
  47. RbTm3S5: the first rubidium lanthanoid(III) sulfide with CsEr3Se5-type crystal structure
  48. Crystal structure of 2,2′-((ethane-1,2-diylbis(methylammoniumdiyl))bis(methylene))bis(pyridin-1-ium) diiodido-tris(μ2-iodido-κ2I:I)dicopper(II) chloride dihydrate, C16H30Cu2I6N4O2
  49. The crystal structure of 4-(trifluoromethyl)pyridine-2-carboxylic acid, C7H4F3NO2
  50. The crystal structure of (E)-2-ethoxy-1-methoxy-4-(2-(methylsulfonyl)vinyl)benzene, C12H16O4S
  51. Crystal structure of potassium 1H,1H,2H,2H-perfluorooctanesulfonate, C8H4O3F13SK
  52. Crystal structure of 4-(4-(quinolin-8-yloxy)-1,2,5-thiadiazol-3-yl)morpholine, C15H14O2N4S
  53. The crystal structure of 1,4-bis(bromomethyl)-2,5-dimethylbenzene, C10H12Br2
  54. The crystal structure of imidazo[4,5-e][1,3]diazepine-4,6,8-triamine methanol solvate, C7H11N7O
  55. The crystal structure of chlorido-bis(1,10-phenantroline-κ2N,N′)-(2-formylphenoxyacetato-κ2O,O) lead(II), C33H23N4O4ClPb
  56. Crystal structure of pyridinium tetrakis(1,1,1-trifluoro-2,4-pentadionato-κ2O,O′)yttrium(III) C20F12H16YO8C5H6N
https://doi.org/10.1515/ncrs-2025-0295
Creative Commons
BY 4.0

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of (1Z, 2Z)-3-phenyl-2-propenal 2-(4-bromo-2-fluorophenyl)hydrazone, C15H12BrFN2
  4. Refinement of crystal structure of 2-(2,3-dihydro-3-oxo-1 H -inden-1-ylidene)-1 H -indene-1,3(2 H )-dione C18H10O3
  5. The crystal structure of 3-(1-fluoro-2-(naphthalen-2-yl)-2-oxoethyl)-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one, C22H18FNO3
  6. Crystal structure of the dinuclear copper(II) complex bis(μ2-2,2′ -{[1,3-phenylenebis-(methylene)]bis(oxy)}dibenzoaot-κ4O,O′:O′′,O′′′)-bis(dimethylformamide-κ1O)dicopper(II), C50H44Cu2N2O14
  7. Crystal structure of poly[triaqua-(μ9-biphenyl-3,3′,5,5′-tetracarboxylic-κ8 O,O:O,O′: O,O″:O,O‴)samarium(III)sodium(I)], C16H12NaSmO11
  8. The crystal structure of 5-benzyl-1-(4-fluorobenzyl)-4-((4-fluorobenzyl)oxy)-1,5-dihydro-2H-pyrrol-2-one, C25H21F2NO2
  9. The crystal structure of diammonium 2,5-dihydroxyterephthalate, C8H12N2O6
  10. Crystal structure of (E)-4-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H19N3O4
  11. Crystal structure of poly[oktakis(μ2-oxido-κ2O:O)-tetrakis(oxido-κ1O)-bis(μ2-1,1′-[1,4-phenylenebis(methylene)]di(1H-imidazole-κ2N:N′))-tetravanadium(V)-dizinc(II)] monohydrate, C28H30Zn2N8O13V4
  12. Crystal structure of acotiamide hydrochloride dimethylacetamide solvate (1/1), C25H40ClN5O6S
  13. Crystal structure of catena-poly[monoaqua (u2-(3-(3,5-dicarboxyphenyl)pyridine-2,6-dicarboxylic-k4O:O′:O″:N)zinc(II))] monohydrate, C15H11NO10Zn
  14. Crystal structure of dichlorido{2,6-bis(3,5-diisopropyl-N-pyrazolyl)pyridine}zinc(II), C23H33Cl2N5Zn
  15. Crystal structure of nitrato-κ2O,O′-[hydridotris(3,5-diethylpyrazol-1-yl)borato-κ3N,N′,N″]copper(II), C21H34BCuN7O3
  16. Crystal structure of 2,7-bis(3,5-diethyl-1H-pyrazol-4-yl)-benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, C28H26N6O4
  17. Crystal structure of 2-(4-chlorophenyl)benzothiazole, C13H8ClNS
  18. Synthesis and crystal structure (3R,4′S)-4′-(3,5-dibromophenyl)-1′-methyl-2H-dispiro [benzofuran-3,3′-pyrrolidine-2′,2″-indene]-1″,2,3″-trione, C26H17Br2NO4
  19. Crystal structure of bis(((3a,7a-dihydro-1H-benzo[d][1,2,3]triazol-1-yl)methyl) triphenylphosphonium) tetrachloridomanganate(II), C50H42Cl4MnN6P2
  20. The crystal structure of 4,9-bis(4-chlorophenyl)-1,6-bis(2-cyanobenzyl)-2,4a,5,6,7,7a-hexahydro-1H-2,7,5-(epiprop[2]ene[1,1,3]triyl)pyrrolo[3,4-b]pyridine-3,10-dicarbonitrile, C40H26Cl2N6
  21. The crystal structure of poly((μ2-3-(3-nitro-4-carboxylphenyl)benzoate-κ3O, O′:O″)-μ2-1,4-bis(1-imidazolyl)benzene-κ2N:N′-cadmium(II)), C26H17N5O6Cd
  22. The crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione monohydrate, C7H6N2O4
  23. Crystal structure of 4-((cyclohexylsulfonyl)methyl)-1,2,3,4-tetrahydrobenzo [4,5]imidazo[1,2-a]pyridine, C18H24N2O2S
  24. Crystal structure of 4,7-diphenyl-1,10-phenanthroline-κ2N,N′)-bis(2,4-di(fluorine)-1-phenylpyridine-κ2C,N)-iridium(III) hexafluorophosphate–dichloromethane (1/1), C47H30Cl2F10IrN4P
  25. Crystal structure of (4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid, C19H15BN2O2
  26. The crystal structure of (E)-(2-((pyridin-2-ylmethylene)amino)phenyl)arsonic acid, C12H11AsN2O3
  27. The crystal structure of N(benzyl(phenyl)carbomothioyl)benzamide, C21H18N2OS
  28. The crystal structure of bis(2-picolinium) hexachlorostannate dichloromethane monosolvate, C13H18Cl8N2Sn
  29. Crystal structure of poly[tetraaqua-bis(μ4-3–1-(carboxylatomethyl)-1H-1,2,4-triazole-3-carboxylato)-κ4O:O′,O″,N)zinc(II)], C5H7N3O6Zn
  30. The crystal structure of the co-crystal isonicotinamide – 2-(nitrophenyl)methanol (1/1), C6H6N2O·C7H7NO3
  31. The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2-fluorobenzoate hydrate, C23H25F2N3O6
  32. Crystal structure of [diaqua-{1H-benzo[d]imidazol-3-ium-5,6-dicarboxylato-κ2O,O′}magnesium(II)] C18H14MgN4O10
  33. Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl) (2-iodo-5-methoxyphenyl)methanone, C20H20INO5
  34. The crystal structure of 3,7,11-trimethylbenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazine 5,5,9,9-tetraoxide, C21H17NO4S2
  35. Crystal structure of tris(piperazine-1,4-diium)bis(2-hydroxy-1,2,3-propane-tricarboxylate) pentahydrate, C24H56N6O19
  36. Crystal structure of 2-chloro-5-((5-isopropyl-2-methylphenoxy)methyl)pyridine, C16H18ClNO
  37. Crystal structure of (E)-4-(4-(1H-pyrrol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[(b)]oxepin-5(2H)-one, C23H21NO4
  38. Crystal structure of (E)-N′-(3,4-dichlorobenzylidene)-3,4,5-trimethoxybenzohydrazide, C17H16Cl2N2O4
  39. The crystal structure of 2-(2-hydroxyphenyl)-3-(pyridin-2-yl)-2,3- dihydroquinazolin-4(1H)-one, C19H15N3O2
  40. Crystal structure of 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-methylchroman-4-one, C17H16O5
  41. Crystal structure of bis[(3,4-dimethoxybenzyl)triphenylphosphonium]di-μ2-bromido-dibromidodicopper(I)
  42. Crystal structure of bis [(1,3-dioxolan-2-ylmethyl)triphenylphosphonium] tetrabromidodicopper(I), C22H22Br2CuO2P
  43. Crystal structure of [1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid], C12H8N2O5
  44. The crystal structure of one-dimensional cooridnation polymer bis(thiocyanato)-bis((1E,2E)-1,2-bis(1-(pyridin-3-yl)ethylidene)-hydrazine κ2N:N)iron(II), (C30H28N10S2Fe)n
  45. Crystal structure of ((4-acetamidophenyl)sulfonyl)-l-alanine, C11H14N2O5S
  46. Crystal structure of [(1-naphthalen-1-yl-methyl)triphenylphosphonium] dichloridocopper(I), [C29H24P]+[CuCl2]−
  47. RbTm3S5: the first rubidium lanthanoid(III) sulfide with CsEr3Se5-type crystal structure
  48. Crystal structure of 2,2′-((ethane-1,2-diylbis(methylammoniumdiyl))bis(methylene))bis(pyridin-1-ium) diiodido-tris(μ2-iodido-κ2I:I)dicopper(II) chloride dihydrate, C16H30Cu2I6N4O2
  49. The crystal structure of 4-(trifluoromethyl)pyridine-2-carboxylic acid, C7H4F3NO2
  50. The crystal structure of (E)-2-ethoxy-1-methoxy-4-(2-(methylsulfonyl)vinyl)benzene, C12H16O4S
  51. Crystal structure of potassium 1H,1H,2H,2H-perfluorooctanesulfonate, C8H4O3F13SK
  52. Crystal structure of 4-(4-(quinolin-8-yloxy)-1,2,5-thiadiazol-3-yl)morpholine, C15H14O2N4S
  53. The crystal structure of 1,4-bis(bromomethyl)-2,5-dimethylbenzene, C10H12Br2
  54. The crystal structure of imidazo[4,5-e][1,3]diazepine-4,6,8-triamine methanol solvate, C7H11N7O
  55. The crystal structure of chlorido-bis(1,10-phenantroline-κ2N,N′)-(2-formylphenoxyacetato-κ2O,O) lead(II), C33H23N4O4ClPb
  56. Crystal structure of pyridinium tetrakis(1,1,1-trifluoro-2,4-pentadionato-κ2O,O′)yttrium(III) C20F12H16YO8C5H6N
Jetzt anmelden und 20% sparen
Institutioneller Zugang
Wie funktioniert Authentifizierung?
Haben Sie eine Idee, wie wir unsere Website verbessern können?
Bitte schreiben Sie uns.
© 2025 De Gruyter Brill
Heruntergeladen am 8.12.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2025-0295/html
Button zum nach oben scrollen