Home Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn
Article Open Access

Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn

  • Hai-Lin Chen ORCID logo , Ze-Ping Luo EMAIL logo , Ming-Huan Chen , Li-Wei Pan , Jian-Jing Lan and Dong-Mei Yao
Published/Copyright: April 15, 2024
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 239 Issue 3

Abstract

C46H64N2O28S2Zn, monoclinic, P21/c (no. 14), a = 18.155(2) Å, b = 9.0872(11) Å, c = 16.373(2) Å, β = 108.095(13)°, V = 2567.6(6) Å3, Z = 2, R gt(F) = 0.0712, wR ref(F 2) = 0.1295, T = 296.15 K.

CCDC no.: 2343320

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: Colourless block
Size: 0.20 × 0.10 × 0.10 mm
Wavelength: MoKα radiation (0.71073 Å)
μ: 0.66 mm-1
Diffractometer, scan mode: Xcalibur, ω
θ max, completeness: 29.2°, >99 %
N(hkl)measured, N(hkl)unique, R int: 13,199, 6013, 0.067
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 3436
N(param)refined: 364
Programs: CrysAlis Pro [1], Diamond [2], Shelx [3, 4]
Table 2:

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

Atom x y z U iso*/U eq
Zn1 0.000000 0.500000 0.000000 0.0304 (2)
S1 0.75539 (5) 0.82546 (12) 0.33094 (6) 0.0219 (2)
O1 0.27088 (16) 0.6209 (4) 0.58977 (19) 0.0418 (8)
H1 0.276774 0.676632 0.630717 0.063*
O2 0.53742 (15) 0.8322 (3) 0.44444 (18) 0.0350 (8)
O3 0.39525 (13) 0.4739 (3) 0.39284 (16) 0.0269 (7)
O4 0.71183 (14) 0.6375 (3) 0.17461 (16) 0.0289 (7)
O5 0.75224 (14) 0.8929 (3) 0.40954 (16) 0.0327 (7)
O6 0.75051 (14) 0.9340 (3) 0.26400 (16) 0.0284 (7)
O7 0.82137 (13) 0.7277 (3) 0.34389 (17) 0.0335 (7)
O8 0.03109 (14) 0.5209 (3) 0.12938 (16) 0.0373 (8)
O9 −0.07351 (14) 0.4679 (3) 0.16621 (16) 0.0295 (7)
O10 0.11511 (14) 0.5784 (3) 0.00251 (17) 0.0336 (7)
H10A 0.120474 0.567673 −0.046911 0.050*
H10B 0.149754 0.523192 0.035159 0.050*
O11 0.04526 (15) 0.2857 (3) 0.01448 (19) 0.0471 (9)
H11A 0.017388 0.209423 −0.001498 0.071*
H11B 0.069898 0.269993 0.067072 0.071*
O12 −0.08120 (18) 0.1149 (4) −0.0391 (2) 0.0734 (12)
H12A −0.104795 0.196783 −0.043987 0.110*
H12B −0.092265 0.082803 −0.090297 0.110*
O13 −0.15159 (18) 0.4441 (3) 0.2848 (2) 0.0426 (8)
H13A −0.123708 0.459190 0.252448 0.064*
H13B −0.161939 0.529654 0.299169 0.064*
N1 0.20833 (16) 0.4450 (3) 0.38681 (19) 0.0188 (7)
H1A 0.225948 0.427374 0.336817 0.023*
C1 0.3258 (2) 0.6475 (5) 0.5525 (2) 0.0264 (10)
C2 0.3746 (2) 0.7703 (5) 0.5747 (3) 0.0325 (11)
H2 0.370210 0.835089 0.616909 0.039*
C3 0.4289 (2) 0.7943 (5) 0.5339 (3) 0.0299 (10)
H3 0.460518 0.876991 0.547923 0.036*
C4 0.43760 (19) 0.6970 (4) 0.4717 (2) 0.0210 (9)
C5 0.3887 (2) 0.5760 (4) 0.4519 (2) 0.0201 (9)
C6 0.3310 (2) 0.5493 (4) 0.4893 (2) 0.0225 (9)
C7 0.4955 (2) 0.7223 (4) 0.4275 (2) 0.0233 (9)
C8 0.4979 (2) 0.6123 (4) 0.3636 (2) 0.0221 (9)
C9 0.4493 (2) 0.4961 (5) 0.3530 (2) 0.0272 (10)
H9 0.453416 0.424155 0.314262 0.033*
C10 0.55237 (19) 0.6226 (4) 0.3121 (2) 0.0222 (9)
C11 0.61921 (19) 0.7095 (4) 0.3385 (2) 0.0205 (9)
H11 0.628776 0.765809 0.388146 0.025*
C12 0.67134 (19) 0.7137 (4) 0.2924 (2) 0.0174 (8)
C13 0.6585 (2) 0.6302 (4) 0.2174 (2) 0.0215 (9)
C14 0.5917 (2) 0.5463 (5) 0.1901 (3) 0.0301 (10)
H14 0.581699 0.491074 0.140022 0.036*
C15 0.5398 (2) 0.5432 (5) 0.2360 (3) 0.0288 (10)
H15 0.495157 0.486673 0.215727 0.035*
C16 0.7026 (2) 0.5349 (5) 0.1054 (3) 0.0382 (12)
H16A 0.657381 0.560399 0.058737 0.057*
H16B 0.696782 0.437370 0.125036 0.057*
H16C 0.747428 0.538526 0.086210 0.057*
C17 0.2768 (2) 0.4211 (5) 0.4666 (2) 0.0247 (10)
H17A 0.257749 0.400328 0.514514 0.030*
H17B 0.305358 0.335349 0.457892 0.030*
C18 0.1746 (2) 0.5959 (4) 0.3783 (3) 0.0280 (10)
H18A 0.215010 0.668016 0.382825 0.034*
H18B 0.152777 0.613543 0.424519 0.034*
C19 0.1120 (2) 0.6128 (4) 0.2927 (2) 0.0268 (10)
H19A 0.135438 0.605860 0.247095 0.032*
H19B 0.089233 0.710023 0.289845 0.032*
C20 0.04789 (19) 0.4981 (4) 0.2773 (2) 0.0194 (8)
H20 0.015682 0.520055 0.313993 0.023*
C21 0.0821 (2) 0.3452 (4) 0.2981 (3) 0.0280 (10)
H21A 0.041055 0.277199 0.298731 0.034*
H21B 0.102841 0.314172 0.252979 0.034*
C22 0.1455 (2) 0.3361 (5) 0.3834 (3) 0.0301 (10)
H22A 0.124021 0.355975 0.429615 0.036*
H22B 0.167092 0.237521 0.391379 0.036*
C23 −0.0029 (2) 0.4971 (4) 0.1833 (2) 0.0222 (9)
O14 0.27237 (16) 0.7588 (3) 0.72883 (19) 0.0491 (9)
H14A 0.231085 0.723492 0.735122 0.074*
H14B 0.269865 0.850402 0.738162 0.074*

1 Source of materials

All reagents and chemicals were purchased from commercial sources and used without further purification. The educt sodium 5-(8-((4-carboxypiperidin-1-yl)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-methoxybenzenesulfonate was synthesized via a Mannich reaction. Formaldehyde solution (5 mL, 37 %), sodium 5-(7-hydroxy-4-oxo-4H-chromen-3-yl)-2-methoxybenzenesulfonate (1.85 g, 0.005 mol), water (5 mL) and piperidine-4-carboxylic acid (0.4844 g, 0.00375 mol) were added to ethanol (50 mL, 99 %) and stirred for 0.5 h at 328 K. Then, hot water (20 mL) was added until a transparent solution was obtained. After 12 h reaction time, the mixture was filtered, and the residue was collected. Then the residue was dried at 383 K. Sodium 5-(8-((4-carboxypiperidin-1-yl)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-methoxybenzenesulfonate (0.6877 g) was obtained. IR spectra (potassium bromide pellet) were recorded on a Nicolet 6700. IR (v/cm−1): 3387, 3079, 2992, 2747, 1733, 1627, 1608, 1494, 1444, 1390, 1368, 1294, 1266, 1215, 1175, 1127, 1094, 1070, 1035, 1015, 989, 957, 923, 903, 843, 829, 800, 720, 689, 628, 603, 581, 548, 489, 469, 447. Zinc nitrate hexahydrate (0.0297 g, 0.1 mmol) and sodium salt described before (0.0256 g, 0.05 mmol) were added to water (10 mL) and sonicated for 10 min. The mixture was heated for 18 h at 363 K. Colorless block crystals of the title complex were obtained. IR spectra (potassium bromide pellet) were recorded on a Nicolet 6700. IR (v/cm−1): 3431, 3023, 2763, 1628, 1604, 1573, 1494, 1450, 1417, 1373, 1361, 1326, 1291, 1266, 1215, 1171, 1096, 1056, 1025, 1004, 959, 926, 897, 824, 797, 780, 722, 637, 622, 550, 516.

2 Experimental details

Carbon-bound H atoms were placed in calculated positions and were included in the refinement in the riding model approximation, with U iso(H) set to 1.2 U eq(C). The oxygen-bound and nitrogen-bound H atoms were located on a difference Fourier map.

3 Comment

In recent years, a series of formononetin derivatives have been synthesized through different procedures to study their pharmacological activities. Some of formononetin derivatives possess various pharmacological activities such as antihypertensive activity and anticancer activity [5], [6], [7]. Our focus was on the design and synthesis of a novel series of formononetin derivatives, with the aim of investigating their potential as effective anticancer agents.

X-ray crystallographic analysis of the Zn(II) complex reveals a mononuclear structure. There is one half of a Zn(II) ion, one organic ligand, two coordinated water molecules and three uncoordinated water molecules in the asymmetric unit of the title structure (cf. the figure, the asymmetric unit is labeled). Zn1, located at an inversion center, is six-coordinated with a distorted octahedral geometry by four coordinated water and two O atoms from two monodentate coordinating ligands. The Zn–O bond distances are in the range of 2.025(2) and 2.196(2) Å. The bond distances and bond angles are in normal ranges [8–10]. The carboxylate groups adopt trans conformations. The pyridine groups adopt chair conformations. The nitrogen atom N1 is protonated. There exist various O–H⋯O and N–H⋯O hydrogen bonds forming a three-dimensional framework. It is obvious that the hydrogen bonds play important roles in the self-assembly and enhance stability of the resultant structure.

Corresponding author: Ze-Ping Luo, School of Chemical and Biological Engineering, Hechi University, Yizhou District, 546300 Hechi, Guangxi, P.R. China, E-mail:

Funding source: 2023 Guangxi Zhuang Autonomous Region New Engineering, New Medical, New Agricultural, and New Humanities Research and Practice Project

Award Identifier / Grant number: XYK202319

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

  2. Research funding: This work was financially supported by 2023 Guangxi Zhuang Autonomous Region New Engineering, New Medical, New Agricultural, and New Humanities Research and Practice Project (XYK202319).

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

References

1. Rigaku. CrysAlisPro; Rigaku Corporation: Yarnton, Oxfordshire, England, 2023.Search in Google Scholar

2. Brandenburg, K. DIAMOND. Visual Crystal Structure Information System. Ver. 3.2; Crystal Impact: Bonn, Germany, 2012.Search in Google Scholar

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 PubMed PubMed Central

4. Sheldrick, G. M. SHELXTL – integrated space-group and crystal-structure determination. Acta Crystallogr. 2015, A71, 3–8; https://doi.org/10.1107/s2053273314026370.Search in Google Scholar PubMed PubMed Central

5. Zuo, S.-J., Ma, D.-L., Li, J., Guo, Q.-H., Zhou, L. Structural modification and antihypertensive activity study of formononetin derivatives. J. Asian Nat. Prod. Res. 2022, 24, 839–848; https://doi.org/10.1080/10286020.2021.2005588.Search in Google Scholar PubMed

6. Yao, J.-N., Zhang, X.-X., Zhang, Y.-Z., Li, J.-H., Zhao, D.-Y., Gao, B., Zhou, H.-N., Gao, S.-L., Zhang, L.-F. Discovery and anticancer evaluation of a formononetin derivative against gastric cancer SGC7901 cells. Invest. New Drugs 2019, 37, 1300–1308; https://doi.org/10.1007/s10637-019-00767-7.Search in Google Scholar PubMed

7. Lin, H.-Y., Sun, W.-X., Zheng, C.-S., Han, H.-W., Wang, X., Zhang, Y.-H., Qiu, H.-Y., Tang, C.-Y., Qi, J.-L., Lu, G.-H., Yang, R.-W., Wang, X.-M., Yang, Y.-H. Synthesis, characterization and biological evaluation of formononetin derivatives as novel EGFR inhibitors via inhibiting growth, migration and inducing apoptosis in breast cancer cell line. RSC Adv. 2017, 7, 48404–48419; https://doi.org/10.1039/c7ra09825a.Search in Google Scholar

8. Chen, H.-L., Li, X., Yao, D.-M., Luo, Z.-P., Wang, Y.-P., Lan, J.-J. Synthesis and crystal structure of 1-((7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carboxylate monohydrate, C22H22N2O9. Z. Kristallogr. N. Cryst. Struct. 2023, 238, 1215–1217; https://doi.org/10.1515/ncrs-2023-0412.Search in Google Scholar

9. Chen, H.-L., Pan, L.-W., Qin, Y.-L., Xie, Y.-J., Zhang, P. Synthesis and crystal structure of trans-tetraaqua-bis(3-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)propanoato-κO)zinc(II) tetrahydrate, C38H48N2O26S2Zn. Z. Kristallogr. N. Cryst. Struct. 2019, 234, 217–219; https://doi.org/10.1515/ncrs-2018-0250.Search in Google Scholar

10. Inomata, Y., Ando, M., Howell, F. S. Characterization and crystal structures of copper(II), cobalt(II), and nickel(II) complexes with two kinds of piperidine carboxylic acids. J. Mol. Struct. 2002, 616, 201–212; https://doi.org/10.1016/s0022-2860(02)00338-1.Search in Google Scholar
Received: 2024-02-27
Accepted: 2024-03-27
Published Online: 2024-04-15
Published in Print: 2024-06-25

© 2024 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 tris((Z)-2-hydroxy-N-((E)-pyridin-2-ylmethylene)benzohydrazonato-k2O,N)europium(III), C39H30N9O6Eu
  4. Crystal structure of (E)-3-(benzylideneamino)-2-phenylthiazolidin-4-one, C16H14N2OS
  5. The crystal structure of (E)-4-fluoro-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H15FN2O
  6. Crystal structure of (6-chloropyridin-3-yl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  7. Crystal structure of methyl 3-methoxy-4-(2-methoxy-2-oxoethoxy)benzoate, C12H14O6
  8. The crystal structure of bis[(4-methoxyphenyl)(picolinoyl)amido-κ2 N:N′]copper(II), C26H22CuN4O4
  9. The crystal structure of poly[di(μ2-aqua)-diaqua-bis(3-aminopyridine-4-carboxylate-κ2 O: O′)-tetra(μ2-3-aminopyridine-4-carboxylate-κ2 O: O′)-dineodymium(III), [Nd2(C6H5N2O2)6(H2O)4] n
  10. The crystal structure of t-butyl 7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate, C28H34FNO4
  11. Crystal structure of catena-poly[(benzylamine-κ1 N)-(sorbato-κ1 O)-(μ2-sorbato-κ2 O,O′)-copper(II), C19H23CuNO4
  12. Crystal structure of (4-(2-chlorophenyl)-1H-pyrrol-3-yl)(ferrocenyl) methanone, C21H16ClFeNO
  13. The crystal structure of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)-2-sulfanylprop-2-enamide hydrate, C19H17BrN2O2S2
  14. The crystal structure of N′-{5-[2-(2,6-dimethylphenoxy) acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide hydrate
  15. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C26H24O3
  16. Crystal structure of naphthalen-1-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C25H22O3
  17. Crystal structure of poly[diaqua- (μ4-5-(1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ5N:O,O’:O’’:O’’’)calcium(II), C10H9CaN3O6
  18. Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide, C14H19N3O2
  19. Crystal structure of (E)-3-(dimethylamino)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one, C13H17NO4
  20. Crystal structure of (2-chloropyridin-3-yl)methyl-2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  21. The crystal structure of diethyl 4-(3,4-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C21H27NO4
  22. Crystal structure of (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H42O2
  23. Synthesis and crystal structure of 4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C15H13N3S
  24. Crystal structure of catena-poly[aqua-(2,6-di-(2-pyridyl)-pyridine-κ3 N,N′, N″)(μ2-1,4-naphthalene dicarboxylato-κ2 O,O′)nickel(II)], C27H19NiN3O5
  25. Crystal structure of 3-(diphenylphosphoryl)-3-hydroxy-1-phenylpropan-1-one, C21H19O3P
  26. The crystal structure of R,S-{N-[(2-oxidonaphthalen-1-yl)methylidene]phenylglycinato}divinylsilicon, C23H19NO3Si
  27. The crystal structure of 1,2,4-tris(bromomethyl)benzene, C9H9Br3
  28. Crystal structure of chlorido-[4-(pyridin-2-yl)benzaldehyde-κ2 N,C]-(diethylamine-κ1 N)platinum(II), C16H18ClN2OPt
  29. Crystal structure of 3-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indol-2-ium chloride hydrate, C40H48Cl2N4O9
  30. The crystal structure of 1-(2-chlorobenzyl)-3-(3-chlorophenyl)urea, C14H12Cl2N2O
  31. Hydrothermal synthesis and crystal structure of aqua-tris(4-acetamidobenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)terbium(III) hydrate C39H36N5O11Tb
  32. The crystal structure of zwitterionic 3-aminoisonicotinic acid, C6H6N2O2
  33. The crystal structure of bis{[monoaqua-μ2-4-[(pyridine-4-carbonyl)-amino]-phthalato-κ3 N:O,O′-(2,2′-bipyridine κ2 N,N′)copper(II)]}decahydrate, C48H56N8O22Cu2
  34. Crystal structure of poly[μ10-4,4′-methylene-bis(oxy)benzoatodipotassium], C15H10K2O6
  35. The crystal structure of catena-poly[[tetraaqua[(μ2-1,4-di(4-methyl-1-imidazolyl)benzene] cobalt(II)]bis(formate)], C16H24CoN4O8
  36. The crystal structure of (E)-2-chloro-5-((2-(nitromethylene)imidazolidin-1-yl)methyl)pyridine, C10H11ClN4O2
  37. The crystal structure of (E)-1-(((2-amino-4,5-dimethylphenyl)iminio)methyl)naphthalen-2-olate, C19H18N2O
  38. Crystal structure of N-(acridin-9-yl)-2-(4-methylpiperidin-1-yl) acetamide monohydrate, C21H25N3O2
  39. The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2 O,O′)-zinc(II), C14H20Cl2N4O4Zn
  40. The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2
  41. The crystal structure of 5-tert-butyl-2-(5-tert-butyl-3-iodo-benzofuran-2-yl)-3-iodobenzofuran, C24H24I2O2
  42. Synthesis and crystal structure of methyl 2-{[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazole-3-yl]thio} acetate, C18H17N3O2S
  43. The crystal structure of n-propylammonium bis(2,3-dimethylbutane-2,3-diolato)borate-boric acid (1/1), [C3H10N][C12H24BO4]·B(OH)3
  44. Crystal structure of methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C19H17BrN2O2
  45. Crystal structure of (4-bromobenzyl)triphenylphosphonium bromide ethanol solvate, C52H48Br4OP2
  46. The crystal structure of unsymmetrical BOPHY C26H27BN4
  47. The crystal structure of Tb3B5O11(OH)2
  48. The crystal structure of (Z)-4-ethyl-2-((4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3,5-dimethyl-2H-pyrrol-1-ium 2,2'-spirobi[naphtho[1,8-de][1,3,2]dioxaborinin]-2-uide, C37H37BN2O4
  49. Crystal structure of bis(methylammonium) hexadecaselenidopalladate(II), (CH3NH3)2PdSe16
  50. The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C31H26NO4P
  51. Crystal structure of (E)-6-(4-ethylpiperazin-1-yl)-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C23H25FN2O
  52. The structure of RUB-56, (C6H16N)8 [Si32O64(OH)8]·32 H2O, a hydrous layer silicate (2D-zeolite) that contains microporous levyne-type silicate layers
  53. Crystal structure of 4-amino-3,5-dibromobenzonitrile, C7H4Br2N2
  54. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-acetoxybenzoate, C21H18O4
  55. Single-crystal structure determination of Tm3B12O19(OH)7
  56. Crystal structure determination of NdB3.6O7
  57. The crystal structure of NdB6O8(OH)5·H3BO3
  58. Crystal structure of 2-(5-ethylpyridin-2-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H25NO3
  59. Crystal structure of N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)aniline, C18H23NO2
  60. Crystal structure of Ba6Cd12Mn4SiF48
  61. Synthesis and crystal structure of 5-fluoro-1-methyl-2-oxo-3-(2-oxochroman-4-yl)indolin-3-yl acetate, C20H16FNO5
  62. The crystal structure of 6-methacryloylbenzo[d][1,3]dioxol-5-yl 4-nitrobenzenesulfonate, C17H13NO8S
  63. Crystal structure of ethyl 2-(3-benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)- 2,2-difluoroacetate, C19H16F2N2O3
  64. The crystal structure of tetrakis(μ 2-(1H-benzimidazole-2-methoxo-κ2 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4
  65. Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn
  66. The crystal structure of 1-(4-carboxybutyl)-3-methyl-1H-imidazol-3-ium hexafluoridophosphate, C9H15F6N2O2P
  67. Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3
  68. Crystal structure of dimethyl (R)-2-(3-(1-phenylethyl)thioureido)-[1,1′-biphenyl]-4,4′-dicarboxylate, C25H24N2O4S
  69. The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3
  70. Synthesis and crystal structure of dimethyl 4,4′-(propane-1,3-diylbis(oxy))dibenzoate, C19H20O6
  71. Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2
  72. The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS
  73. The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C15H8F4N2O3
https://doi.org/10.1515/ncrs-2024-0093
Creative Commons
BY 4.0

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of tris((Z)-2-hydroxy-N-((E)-pyridin-2-ylmethylene)benzohydrazonato-k2O,N)europium(III), C39H30N9O6Eu
  4. Crystal structure of (E)-3-(benzylideneamino)-2-phenylthiazolidin-4-one, C16H14N2OS
  5. The crystal structure of (E)-4-fluoro-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H15FN2O
  6. Crystal structure of (6-chloropyridin-3-yl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  7. Crystal structure of methyl 3-methoxy-4-(2-methoxy-2-oxoethoxy)benzoate, C12H14O6
  8. The crystal structure of bis[(4-methoxyphenyl)(picolinoyl)amido-κ2 N:N′]copper(II), C26H22CuN4O4
  9. The crystal structure of poly[di(μ2-aqua)-diaqua-bis(3-aminopyridine-4-carboxylate-κ2 O: O′)-tetra(μ2-3-aminopyridine-4-carboxylate-κ2 O: O′)-dineodymium(III), [Nd2(C6H5N2O2)6(H2O)4] n
  10. The crystal structure of t-butyl 7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate, C28H34FNO4
  11. Crystal structure of catena-poly[(benzylamine-κ1 N)-(sorbato-κ1 O)-(μ2-sorbato-κ2 O,O′)-copper(II), C19H23CuNO4
  12. Crystal structure of (4-(2-chlorophenyl)-1H-pyrrol-3-yl)(ferrocenyl) methanone, C21H16ClFeNO
  13. The crystal structure of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)-2-sulfanylprop-2-enamide hydrate, C19H17BrN2O2S2
  14. The crystal structure of N′-{5-[2-(2,6-dimethylphenoxy) acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide hydrate
  15. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C26H24O3
  16. Crystal structure of naphthalen-1-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C25H22O3
  17. Crystal structure of poly[diaqua- (μ4-5-(1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ5N:O,O’:O’’:O’’’)calcium(II), C10H9CaN3O6
  18. Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide, C14H19N3O2
  19. Crystal structure of (E)-3-(dimethylamino)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one, C13H17NO4
  20. Crystal structure of (2-chloropyridin-3-yl)methyl-2-(6-methoxynaphthalen-2-yl)propanoate, C20H18ClNO3
  21. The crystal structure of diethyl 4-(3,4-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C21H27NO4
  22. Crystal structure of (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H42O2
  23. Synthesis and crystal structure of 4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C15H13N3S
  24. Crystal structure of catena-poly[aqua-(2,6-di-(2-pyridyl)-pyridine-κ3 N,N′, N″)(μ2-1,4-naphthalene dicarboxylato-κ2 O,O′)nickel(II)], C27H19NiN3O5
  25. Crystal structure of 3-(diphenylphosphoryl)-3-hydroxy-1-phenylpropan-1-one, C21H19O3P
  26. The crystal structure of R,S-{N-[(2-oxidonaphthalen-1-yl)methylidene]phenylglycinato}divinylsilicon, C23H19NO3Si
  27. The crystal structure of 1,2,4-tris(bromomethyl)benzene, C9H9Br3
  28. Crystal structure of chlorido-[4-(pyridin-2-yl)benzaldehyde-κ2 N,C]-(diethylamine-κ1 N)platinum(II), C16H18ClN2OPt
  29. Crystal structure of 3-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indol-2-ium chloride hydrate, C40H48Cl2N4O9
  30. The crystal structure of 1-(2-chlorobenzyl)-3-(3-chlorophenyl)urea, C14H12Cl2N2O
  31. Hydrothermal synthesis and crystal structure of aqua-tris(4-acetamidobenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)terbium(III) hydrate C39H36N5O11Tb
  32. The crystal structure of zwitterionic 3-aminoisonicotinic acid, C6H6N2O2
  33. The crystal structure of bis{[monoaqua-μ2-4-[(pyridine-4-carbonyl)-amino]-phthalato-κ3 N:O,O′-(2,2′-bipyridine κ2 N,N′)copper(II)]}decahydrate, C48H56N8O22Cu2
  34. Crystal structure of poly[μ10-4,4′-methylene-bis(oxy)benzoatodipotassium], C15H10K2O6
  35. The crystal structure of catena-poly[[tetraaqua[(μ2-1,4-di(4-methyl-1-imidazolyl)benzene] cobalt(II)]bis(formate)], C16H24CoN4O8
  36. The crystal structure of (E)-2-chloro-5-((2-(nitromethylene)imidazolidin-1-yl)methyl)pyridine, C10H11ClN4O2
  37. The crystal structure of (E)-1-(((2-amino-4,5-dimethylphenyl)iminio)methyl)naphthalen-2-olate, C19H18N2O
  38. Crystal structure of N-(acridin-9-yl)-2-(4-methylpiperidin-1-yl) acetamide monohydrate, C21H25N3O2
  39. The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2 O,O′)-zinc(II), C14H20Cl2N4O4Zn
  40. The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ4,5λ4-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C25H29BN2O2
  41. The crystal structure of 5-tert-butyl-2-(5-tert-butyl-3-iodo-benzofuran-2-yl)-3-iodobenzofuran, C24H24I2O2
  42. Synthesis and crystal structure of methyl 2-{[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazole-3-yl]thio} acetate, C18H17N3O2S
  43. The crystal structure of n-propylammonium bis(2,3-dimethylbutane-2,3-diolato)borate-boric acid (1/1), [C3H10N][C12H24BO4]·B(OH)3
  44. Crystal structure of methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C19H17BrN2O2
  45. Crystal structure of (4-bromobenzyl)triphenylphosphonium bromide ethanol solvate, C52H48Br4OP2
  46. The crystal structure of unsymmetrical BOPHY C26H27BN4
  47. The crystal structure of Tb3B5O11(OH)2
  48. The crystal structure of (Z)-4-ethyl-2-((4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3,5-dimethyl-2H-pyrrol-1-ium 2,2'-spirobi[naphtho[1,8-de][1,3,2]dioxaborinin]-2-uide, C37H37BN2O4
  49. Crystal structure of bis(methylammonium) hexadecaselenidopalladate(II), (CH3NH3)2PdSe16
  50. The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C31H26NO4P
  51. Crystal structure of (E)-6-(4-ethylpiperazin-1-yl)-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C23H25FN2O
  52. The structure of RUB-56, (C6H16N)8 [Si32O64(OH)8]·32 H2O, a hydrous layer silicate (2D-zeolite) that contains microporous levyne-type silicate layers
  53. Crystal structure of 4-amino-3,5-dibromobenzonitrile, C7H4Br2N2
  54. Crystal structure of 2-(naphthalen-1-yl)ethyl 2-acetoxybenzoate, C21H18O4
  55. Single-crystal structure determination of Tm3B12O19(OH)7
  56. Crystal structure determination of NdB3.6O7
  57. The crystal structure of NdB6O8(OH)5·H3BO3
  58. Crystal structure of 2-(5-ethylpyridin-2-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H25NO3
  59. Crystal structure of N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)aniline, C18H23NO2
  60. Crystal structure of Ba6Cd12Mn4SiF48
  61. Synthesis and crystal structure of 5-fluoro-1-methyl-2-oxo-3-(2-oxochroman-4-yl)indolin-3-yl acetate, C20H16FNO5
  62. The crystal structure of 6-methacryloylbenzo[d][1,3]dioxol-5-yl 4-nitrobenzenesulfonate, C17H13NO8S
  63. Crystal structure of ethyl 2-(3-benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)- 2,2-difluoroacetate, C19H16F2N2O3
  64. The crystal structure of tetrakis(μ 2-(1H-benzimidazole-2-methoxo-κ2 N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C48H68Cl4N8O8Ni4
  65. Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C46H64N2O28S2Zn
  66. The crystal structure of 1-(4-carboxybutyl)-3-methyl-1H-imidazol-3-ium hexafluoridophosphate, C9H15F6N2O2P
  67. Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C20H13ClN2O3
  68. Crystal structure of dimethyl (R)-2-(3-(1-phenylethyl)thioureido)-[1,1′-biphenyl]-4,4′-dicarboxylate, C25H24N2O4S
  69. The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C7H10N2O3
  70. Synthesis and crystal structure of dimethyl 4,4′-(propane-1,3-diylbis(oxy))dibenzoate, C19H20O6
  71. Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C20H20N2O2
  72. The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C20H28N2OS
  73. The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C15H8F4N2O3
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 14.11.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2024-0093/html?lang=en
Scroll to top button