Home Physical Sciences Crystal structure of (E)-4-(4-(1H-pyrrol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[(b)]oxepin-5(2H)-one, C23H21NO4
Article Open Access

Crystal structure of (E)-4-(4-(1H-pyrrol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[(b)]oxepin-5(2H)-one, C23H21NO4

  • Yu-Hao Miao , Mu-Chen Jiang , De-Li Xia , Wen-Xin Zhu , Yue-Xia Ding and Gui-Ge Hou ORCID logo EMAIL logo
Published/Copyright: September 23, 2025
Download Article (PDF)
Become an author with De Gruyter Brill
Submit Manuscript Author Information
Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 240 Issue 6

Abstract

C23H21NO4, monoclinic, P21/c (no. 14), a = 18.4694(3) Å, b = 6.9105(1) Å, c = 14.9464(3) Å, β = 93.749(2)°, V = 1903.57(6) Å3, Z = 4, R gt (F) = 0.0426(3375), wR ref (F2) = 0.1183(3743), T = 293 K.

CCDC no.: 2484893

The molecular structure is shown in the figure. 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: 0.15 × 0.13 × 0.11 mm
Wavelength: Cu Kα radiation (1.54178 Å)
μ: 0.73 mm−1
Diffractometer, scan mode: Rigaku Synergy, ω scan
θmax, completeness: 74.9°, 99 %
N(hkl)measured, N(hkl)unique, Rint: 11441, 3743, 0.015
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3375
N(param)refined: 255
Programs: Rigaku, 1 SHELX 2 , 3

1 Source of material

Based on the literature synthesis, 4 , 5 1H-pyrrole (10.73 g, 0.16 mol), potassium carbonate (27.80 g, 0.20 mol) and N,N-dimethylformamide (6 mL) were added into a 250 mL round flask. The mixture was stirred and reacted under an oil bath at 353 K for 4 h. After that, the temperature was raised to 383 K, and 4-fluorobenzaldehyde (2.5 g, 0.02 mol) was added. The reaction was continued for another 5 h. After filtration and spin evaporation, the residue was purified on a silica gel column chromatography (dichloromethane:methanol = 30:1, v:v) to afford the intermediate. Next, the intermediate (0.86 g, 5.0 mmol) and 6,8-dimethoxy-3,4-dihydrobenzo[(b)]oxepin-5(2H)-one (1.11 g, 5.0 mmol) were dissolved in 3 mL methanol. A 25 % sodium hydroxide solution (3 mL) was used as a catalyst. The system was reacted on ice for 10 min and then stirred at room temperature for 30 min. The reaction was stopped when it was monitored by thin-layer chromatography (TLC) that the intermediate had been completely consumed. The precipitate obtained by suction filtration was rinsed with 50 % methanol. The precipitate was collected and recrystallized from a dichloromethane and methanol solution (10 mL, 1:1, v:v) at room temperature to gain clear light yellow block crystals after three days.

2 Experimental details

The H atoms were placed in idealized positions and treated as riding on their parent atoms, with d(C–H) = 0.96 Å (methyl), Uiso(H) = 1.5Ueq(C), and d(C–H) = 0.97 Å (methylene), Uiso(H) = 1.2Ueq(C), and d(C–H) = 0.93 Å (aromatic), Uiso(H) = 1.2Ueq(C).

3 Comment

Previous studies revealed that 3,4-dihydrobenzo[(b)]oxepin-5(2H)-one compounds have excellent anti-inflammatory properties. 6 , 7 It has been demonstrated that biological activity can be increased with the aid of introducing another pharmacophore, α,β-unsaturated ketone. 8 In addition, some research indicates that the introduction of a nitrogen-containing heterocycle at the end of the compound may reduce the toxicity and increase the biological activity of the compound. 9 , 10 Therefore, a 1H-pyrrole substituent at the C(15) position was introduced to obtain the title compound.

The single-crystal structure analysis reveals that the title compound crystallizes in the monoclinic space group, with one molecule in the asymmetric unit (cf. the figure). The bond lengths and bond angles are within the normal range. In this seven-membered oxazepine ring, dihedral angles are C(9)–C(1)–C(2)–C(3), C(1)–C(2)–C(3)–C(4), C(2)–C(3)–C(4)–O(1), and C(3)–C(4)–O(1)–C(10) are 4.09(17)°, −72.44(14)°, 43.21(16)° and 49.42(16)°, respectively. At the C(2) position, the α,β-unsaturated ketone was obtained through the Claisen–Schmidt condensation reaction. 11 , 12 The bond lengths of O(2)=C(1) is 1.2172(16) Å, while the bond length of C(2)=C(11) is 1.3381(18) Å. The torsion angle of O(2)=C(1)–C(2)=C(11) is about 2.97(19)°, while the torsion angle of C(1)–C(2)=C(11)–C(12) is about 177.57(12)°. There is a 1H-pyrrole substitution at the C(15) position. The bond length of C(15)–N(1) is 1.4192(15) Å. The torsion angle of C(18)–N(1)–C(15) is about 125.92(12)°, the torsion angle of C(21)–N(1)–C(18) is about 108.15(12)° and the torsion angle of C(21)–N(1)–C(15) is about 125.80(11)°. Because of the structural characteristics and the substituent effect, there is a large dihedral angle between the central parent nucleus and the substituted 1H-pyrrole, with the dihedral angle of about 34.01(3)°. Overall, the title compound has a linear structure. 13 This twisting and linear structure may increase the possibility of interaction with bioactive molecules. 14 , 15

Corresponding author: Gui-Ge Hou, School of Pharmacy, Binzhou Medical University, Yantai, 264003, P.R. China, E-mail:

  1. Research funding: This work was supported by Shandong Provincial Natural Science Foundation (No. ZR2023MH190) and College Students’ innovation and entrepreneurship training program (Discovery of benzoxazepines and the mechanism of action of targeted intervention in the cGAS–STING pathway for the treatment of neuroinflammation, by Mu-Chen Jiang, No. X202510440639).

References

1. Rigaku OD. CrysAlisPRO; Rigaku Oxford Diffraction Ltd: Yarnton, Oxfordshire, England, 2017.Search in Google Scholar

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

4. 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.Search in Google Scholar PubMed

5. Zhang, X. F.; Luan, M. Z.; Yan, W. B.; Zhao, F. L.; Hou, Y.; Hou, G. G.; Meng, Q. G. Anti-neuroinflammatory Effects of Novel 5,6-Dihydrobenzo[h]Quinazolin-2-Amine Derivatives in Lipopolysaccharide-Stimulated BV2 Microglial Cells. Eur. J. Med. Chem. 2022, 235, 114322; https://doi.org/10.1016/j.ejmech.2022.114322.Search in Google Scholar PubMed

6. 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.Search in Google Scholar PubMed

7. Li, N.; Yao, B. R.; Wang, C. H.; Meng, Q. G.; Hou, G. G. Synthesis, Crystal Structure and Activity Evaluation of Novel 3,4-Dihydro-1-Benzoxepin-5(2H)-One Derivatives as Protein-Tyrosine Kinase (PTK) Inhibitors. Acta Crystallogr. 2017, C73, 1003–1009; https://doi.org/10.1107/s2053229617015145.Search in Google Scholar

8. 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.Search in Google Scholar PubMed

9. Zhou, G.; Zorn, N.; Ting, P.; Aslanian, R.; Lin, M.; Cook, J.; Lachowicz, J.; Lin, A.; Smith, M.; Hwa, J.; van Heek, M.; Walker, S. Development of Novel Benzomorpholine Class of Diacylglycerol Acyltransferase I Inhibitors. ACS Med. Chem. Lett. 2014, 5 (5), 544–549; https://doi.org/10.1021/ml400527n.Search in Google Scholar PubMed PubMed Central

10. Girase, P. S.; Dhawan, S.; Kumar, V.; Shinde, S. R.; Palkar, M. B.; Karpoormath, R. An Appraisal of Anti-mycobacterial Activity with Structure-Activity Relationship of Piperazine and Its Analogues: A Review. Eur. J. Med. Chem. 2021, 210, 112967; https://doi.org/10.1016/j.ejmech.2020.112967.Search in Google Scholar PubMed

11. 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-Imidazol-1-yl)Benzylidene)-7-Fluoro-3,4-Dihydronaphthalen-1(2h)-One, C20H15FN2O. Z. Kristallogr. NCS. 2025, 240 (1), 19–21; https://doi.org/10.1515/ncrs-2024-0294.Search in Google Scholar

12. 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. NCS 2024, 239, 1133–1136; https://doi.org/10.1515/ncrs-2024-0329.Search in Google Scholar

13. Yu, L.; Wang, J. P.; Wang, M. D.; Yu, W. X.; Cui, Y. T.; Gao, H. X.; Liu, Y. J.; Hou, G. G. Crystal Structure of (E)-6-(4-Ethylpiperazin-1-yl)-2-(3-Fluorobenzylidene)-3,4-Dihydronaphthalen-1(2H)-One, C23H25FN2O. Z. Kristallogr. NCS 2024, 239 (3), 515–517; https://doi.org/10.1515/ncrs-2024-0066.Search in Google Scholar

14. Sun, Y.; Zhou, Y. Q.; Liu, Y. K.; Zhang, H. Q.; Hou, G. G.; Meng, Q. G.; Hou, Y. Potential Anti-neuroinflammatory NF-κB Inhibitors Based on 3,4-Dihydronaphthalen-1(2H)-One Derivatives. J. Enzym. Inhib. Med. Chem. 2020, 35, 1631–1640; https://doi.org/10.1080/14756366.2020.1804899.Search in Google Scholar PubMed PubMed Central

15. 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.Search in Google Scholar PubMed

Received: 2025-08-02
Accepted: 2025-09-04
Published Online: 2025-09-23
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.

Articles in the same Issue

  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-2025-0334
Creative Commons
BY 4.0

Articles in the same Issue

  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
Sign up now to receive a 20% welcome discount
Institutional Access
How does access work?
Have an idea on how to improve our website?
Please write us.
© 2025 De Gruyter Brill
Downloaded on 7.12.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2025-0334/html
Scroll to top button