Startseite Crystal structure of diaqua-bis[1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylato-κ2N,O)] manganese(II), C16H20MnN10O8
Artikel Open Access

Crystal structure of diaqua-bis[1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylato-κ2N,O)] manganese(II), C16H20MnN10O8

  • Shu Ye , Jing-Jing Guo , Linlin Zhu , Mengyi Zhang und Chao Feng ORCID logo EMAIL logo
Veröffentlicht/Copyright: 15. Januar 2024
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 239 Heft 2

Abstract

C16H20MnN10O8, monoclinic, P21/c (no. 14), a = 11.1178(7) Å, b = 12.7838(6) Å, c = 15.6649(10) Å, β = 105.692(6)°, V = 2143.4(2) Å3, Z = 4, R gt (F) = 0.0638, ωR ref (F2) = 0.2034, T = 293 K.

CCDC no.: 2322387

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: Colorless block
Size: 0.17 × 0.15 × 0.11 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.69 mm−1
Diffractometer, scan mode: SuperNova
θmax, completeness: 29.2°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 10,468, 4940, 0.033
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3488
N(param)refined: 320
Programs: SHELX [1, 2]
Table 2:

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

Atom x y z Uiso*/Ueq
Mn1 0.42053 (5) 0.42936 (4) 0.62799 (4) 0.0387 (2)
C1 0.8604 (4) 0.2576 (3) 0.5641 (2) 0.0433 (9)
C2 0.9398 (4) 0.3423 (4) 0.5677 (4) 0.0687 (14)
H2 0.9266 0.4119 0.5798 0.082*
C17 1.0421 (4) 0.2984 (4) 0.5493 (4) 0.0673 (14)
H17 1.1142 0.3338 0.5469 0.081*
C5 0.5612 (3) 0.2329 (3) 0.6045 (2) 0.0364 (8)
C6 0.6624 (3) 0.1820 (3) 0.5897 (2) 0.0403 (8)
C7 0.6888 (5) 0.0681 (3) 0.5852 (4) 0.0650 (13)
H7A 0.6796 0.0483 0.5247 0.097*
H7B 0.6311 0.0288 0.6084 0.097*
H7C 0.7726 0.0538 0.6197 0.097*
C8 0.4433 (4) 0.1974 (3) 0.6238 (2) 0.0396 (8)
C9 0.0067 (3) 0.6369 (3) 0.6985 (2) 0.0429 (9)
C10 −0.0562 (5) 0.5663 (4) 0.7355 (4) 0.0715 (15)
H10 −0.0312 0.4991 0.7552 0.086*
C11 −0.1636 (4) 0.6159 (5) 0.7372 (3) 0.0696 (14)
H11 −0.2277 0.5890 0.7584 0.083*
C12 −0.2544 (5) 0.7916 (5) 0.6844 (4) 0.0766 (16)
H12A −0.3059 0.7850 0.7251 0.092*
H12B −0.2147 0.8598 0.6931 0.092*
C13 0.2103 (3) 0.6958 (3) 0.6715 (2) 0.0364 (8)
C14 0.3030 (3) 0.6368 (3) 0.6528 (2) 0.0365 (8)
C15 0.1997 (4) 0.8107 (3) 0.6840 (3) 0.0483 (10)
H15A 0.1634 0.8431 0.6276 0.073*
H15B 0.2812 0.8395 0.7096 0.073*
H15C 0.1476 0.8234 0.7228 0.073*
C16 0.4222 (3) 0.6630 (3) 0.6327 (2) 0.0363 (8)
N1 1.0211 (3) 0.1968 (3) 0.5354 (2) 0.0543 (9)
N2 0.9077 (3) 0.1690 (3) 0.5444 (3) 0.0533 (9)
N11 0.7394 (3) 0.2597 (2) 0.57820 (19) 0.0377 (7)
N4 0.6885 (3) 0.3548 (2) 0.5843 (2) 0.0409 (7)
N5 0.5815 (3) 0.3374 (2) 0.6007 (2) 0.0381 (7)
N6 −0.1593 (3) 0.7102 (3) 0.7026 (3) 0.0568 (10)
N7 −0.0541 (3) 0.7250 (3) 0.6772 (3) 0.0539 (9)
N8 0.1247 (3) 0.6245 (3) 0.6803 (2) 0.0404 (7)
N9 0.1598 (3) 0.5251 (3) 0.6677 (2) 0.0475 (8)
N10 0.2684 (3) 0.5336 (2) 0.6509 (2) 0.0431 (7)
O1 0.4228 (3) 0.1024 (2) 0.6270 (2) 0.0563 (8)
O2 0.3699 (3) 0.2690 (2) 0.63449 (18) 0.0450 (6)
O4 0.4886 (2) 0.5866 (2) 0.62118 (19) 0.0437 (6)
O5 0.4496 (3) 0.7564 (2) 0.62705 (19) 0.0468 (7)
O6 −0.3293 (3) 0.7829 (4) 0.5968 (3) 0.0848 (12)
H6 −0.4030 0.7885 0.5961 0.127*
O1W 0.3167 (3) 0.4275 (2) 0.48728 (19) 0.0582 (8)
H1WA 0.3016 0.3808 0.4526 0.087*
H1WB 0.3052 0.4903 0.4546 0.087*
O2W 0.5039 (3) 0.4312 (2) 0.76961 (19) 0.0537 (8)
H2WA 0.5194 0.3794 0.8048 0.081*
H2WB 0.5314 0.4804 0.8017 0.081*
O3 1.1685 (4) 0.0535 (4) 0.5739 (4) 0.1033 (14)
H3 1.2366 0.0803 0.5965 0.155*
C3 1.1005 (5) 0.1170 (5) 0.5055 (4) 0.0781 (16)
H3A 1.0470 0.0733 0.4603 0.094*
H3B 1.1581 0.1530 0.4789 0.094*

1 Source of material

All chemical reagents were purchased from commercial sources and used without further purification. The ligand 1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid was prepared according to the literature reported by Feng [3, 4]. A mixture of MnCl2·4H2O (0.0126 g, 0.1 mmol) and 1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (0.0446 g, 0.2 mmol) was dissolved in 10 mL DMF, and the mixture was stirred at room temperature for 10 min. The resulting solution was transferred to a Teflon-lined autoclave (25 mL) for 3 days at 100 °C, and then naturally cooled. Finally, colorless block crystals were obtained by filtration.

2 Experimental details

The crystal structure was solved in SHELXT [1] and refined in SHELXL2014/7 [2]. The H atoms were placed in idealized positions and treated as riding on their parent atoms. Hydrogen atoms from water were located from a difference–Fourier map and their positions were refined with U iso (H) = 1.5U eq (O).

3 Comment

Pyrazole is a unique class of compounds containing two adjacent nitrogen atoms. Due to the special electronic effect of the pyrazole ring, the nitrogen atoms on the ring are easily coordinated with transition metals [5]. When the substitution position on the pyrazole ring is at the carbon atom, the melting and boiling points of the synthesized compound will increase. When the substitution position on the pyrazole ring is at the nitrogen atom, the melting and boiling points of the synthesized compound will decrease. Because pyrazole has four different substitution positions and the substituent groups are diverse and variable, it is easy to alkylation and acylation reactions [6]. At the same time, pyrazole is also an important organic chemical and basic raw material, and as an important organic ligand [7].

1,2,3-triazole compounds are a fundamental and important nitrogen-containing heterocyclic compound, and compared to 1,2,4-triazole compounds, 1,2,3-triazole rings are more stable. The triazole ring has a high electron cloud density. From the perspective of orbital theory, it is easy to coordinate with metal ions, and multiple nitrogen atoms on the triazole ring can easily form metal clusters [8].

Based on the above description, we combine the advantages of pyrazole and triazole, and introduce the carboxyl group as a flexible group to synthesize a new azole ligand 1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid, and use this to prepare one Mn-based complex.

X-ray single crystal diffraction shows that the title complex crystallizes in the monoclinic system in the space group P21/c, and the asymmetric unit consists of one Mn(II) ion, two ligand ions and two coordinated water molecules. The central Mn(II) ion adopts a distorted octahedral coordination configuration, and is coordinated to two O atoms (O1W, O2W) from lattice water molecules, two carboxylate oxygen atoms (O2, O4) and two nitrogen atoms (N5, N10) of pyrazole rings. In the octahedron, the bond length of Mn1–N5 and Mn1–N10 is 2.276(3) Å and 2.257(3) Å, respectively. Meanwhile, the bond lengths of Mn1–O2, Mn1–O4, Mn1–O1W and Mn1–O2W are 2.136(3) Å, 2.160(3) Å, 2.194(3) Å and 2.161(3) Å, respectively, which are similar to that reported in Mn(II) complexes [9]. The bond angles of O–Mn1–O, N–Mn1–N and N–Mn1–O all fall within the normal range. In the crystal structure, there exists two lattice water molecules, carboxyl groups and uncoordinated hydroxymethyl groups, intermolecular hydrogen bonds O–H⋯O link the title complex into a supramolecular structure.

Corresponding author: Chao Feng, School of Materials and Chemical Engineering, Bengbu University, Bengbu 233030, P.R. China, E-mail:

Funding source: New Energy Materials and Device Innovation Team of Bengbu University

Award Identifier / Grant number: (BBXYKYTDxjZD01)

Funding source: the excellent innovative scientific research team of silicon based materials

Award Identifier / Grant number: (2022AH010101)

Funding source: Excellent Young Talents Foundation in Universities of Anhui Province

Award Identifier / Grant number: (gxyq2022109)

Funding source: Natural Science in Universities of Anhui Province

Award Identifier / Grant number: (KJ2021A1124, 2023AH040363)

Funding source: Industry-University-Research Collaboration of Bengbu University

Award Identifier / Grant number: (00012370, 00012869, 00012870, 00012876, 00012873)

  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 New Energy Materials and Device Innovation Team of Bengbu University (BBXYKYTDxjZD01), the excellent innovative scientific research team of silicon based materials (2022AH010101), Excellent Young Talents Foundation in Universities of Anhui Province (gxyq2022109), Natural Science in Universities of Anhui Province (KJ2021A1124, 2023AH040363) and Industry-University-Research Collaboration of Bengbu University (00012370, 00012869, 00012870, 00012876, 00012873).

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

References

1. Sheldrick, G. M. SHELXTL integrated space-group and crystal-structure determination. Acta Crystallogr. 2015, A71, 3–8.10.1107/S2053273314026370Suche in Google Scholar PubMed PubMed Central

2. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2014, C71, 3–8; https://doi.org/10.1107/s2053229614024218.Suche in Google Scholar

3. Bai, X. G., Feng, C. Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate. Acta Crystallogr. 2014, E70, o755; https://doi.org/10.1107/s1600536814012380.Suche in Google Scholar PubMed PubMed Central

4. Feng, C., Gao, G. Y., Qu, Z. R., Sun, L. N., Zhao, H. Exploration of supramolecular architecture in complexes with 1-substituted-1H-[1,2,3]-triazole-4-carboxylic acid: structural eucidation and Hirshfeld surface analysis. J. Inorg. Organomet. Polymer. 2015, 25, 1233–1238; https://doi.org/10.1007/s10904-015-0232-3.Suche in Google Scholar

5. Trofimenko, S. The coordination chemistry of pyrazole-derived ligands. Prog. Inorg. Chem. 2007, 34, 115–210.10.1002/9780470166352.ch3Suche in Google Scholar

6. Fustero, S., Simon-Fuentes, A., Sanz-Cervera, J. F. Recent advances in the synthesis of pyrazoles. A review. Org. Prep. Proced. Int. 2009, 41, 253–290; https://doi.org/10.1080/00304940903077832.Suche in Google Scholar

7. Pettinari, C., Tăbăcaru, A., Galli, S. Coordination polymers and metal–organic frameworks based on poly (pyrazole)-containing ligands. Coord. Chem. Rev. 2016, 307, 1–31; https://doi.org/10.1016/j.ccr.2015.08.005.Suche in Google Scholar

8. Hosseinnejad, T., Ebrahimpour-Malmir, F., Fattahi, B. Computational investigations of click-derived 1,2,3-triazoles as keystone ligands for complexation with transition metals: a review. RSC Adv. 2018, 8, 12232–12259; https://doi.org/10.1039/c8ra00283e.Suche in Google Scholar PubMed PubMed Central

9. Xia, Y. P., Han, L. L. Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6N,O:O′:N′, O″:O‴) manganese(II)], C22H26MnN6O8. Z. Kristallogr. N. Cryst. Struct. 2022, 237, 975–976; https://doi.org/10.1515/ncrs-2022-0340.Suche in Google Scholar
Received: 2023-11-01
Accepted: 2023-12-28
Published Online: 2024-01-15
Published in Print: 2024-04-25

© 2023 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. Solvothermal synthesis and crystal structure of aqua-tris(p-acetamidobenzoate-κ2O,O′)-(2,2′-bipyridine-κ2N,N′)terbium(III) - water - methanol (1/1/1)
  4. Crystal structure of hexaaquazinc(II) catena-poly[bis(1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ2O,O′)-bis(μ2-1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ2O:O′)trizinc(II)] hexahydrate C26H36N4O20Zn2
  5. The crystal structure of valinyl-N-ium-4-(5-(thiophen-2-yl)isoxazol-3-yl)phenyl trifluoroacetate
  6. Crystal structure of bis(3,5-diisopropyl-1H-pyrazol-4-ammonium) tetrafluoroterephthalate, 2[C9H18N3][C8F4O4]
  7. Crystal structure of aqua-octakis(μ3-salicylato)-(1,10-phenanthroline)-(acetonitrile)-dicobalt(II)-trititanium(IV), C70H45N3O25Co2Ti3
  8. Crystal structure of catena-poly[aqua-(μ2-4,4′-diimidazole diphenyl ether-κ2N:N′)-(sulfato-κ1O)-cobalt(II)] – dimethylformamide (2/1), C39H37CoN9O8S
  9. Crystal structure of (5R,8R,9R,10R,12R, 13R,14R,17S)-2-(E-3-fluorobenzylidene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C37H53FO3
  10. Crystal structure of (Z)-4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenyl diphenylphosphinate, C30H25O7P
  11. Crystal structure of 3-((5-methylpyridin-2-yl)amino)-1-phenylpropan-1-one, C15H16N2O
  12. The crystal structure of (R)-9-(5-methoxy-2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene)-9H-thioxanthene, C28H22OS
  13. Crystal structure of diaqua-bis[1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylato-κ2N,O)] manganese(II), C16H20MnN10O8
  14. The crystal structure of t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, C26H36FN3O6S
  15. The crystal structure of samarium sulfate pentahydrate, Sm2(SO4)3(H2O)5
  16. The crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylate-κ 4 N,O,O,O)-zinc(II)] monohydrate, C12H15NO9Zn
  17. The crystal structure of 2,3-difluoro-11H-benzo-[4,5]imidazo[2,1-a]isoindol-11-one, C14H6F2N2O
  18. The crystal structure of 2,3-di(9H-carbazol-9-yl)-9H-fluoren-9-one, C37H22N2O
  19. The crystal structure of 5-(2-chloro-3-(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)-10,11-dihydro-5H-dibenzo[b,f]azepine, C40H39ClN2
  20. Crystal structure of 2-bromo-1-hydroxy-3-(3-methylbut-2-enyloxy)-9H-xanthen-9-one, C18H15BrO4
  21. Crystal structure of bis(μ2-benzenesulfonato-κ2O:O′)-bis(μ2-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))-bis(2-methoxyphenolato-κ6O,O′:O′,N,N′,O′′:O′′,O′′′))disodium(I)dicopper(II)
  22. The crystal structure of (E)-1,2-bis(benzo[e][1,2]azaborinin-2(1H)-yl)ethene, C18H16B2N2
  23. Crystal structure of 3-oxo-urs-12-en-28-benzyl ester, C37H52O3
  24. The crystal structure of ethyl (E)-1-chloro-3-(4-chloro-1-methyl-1H-indole-2-carbonyl)-4-oxo-2-phenylcyclooct-2-ene-1-carboxylate, C27H25Cl2NO4
  25. The crystal structure of 4,4′-((5-bromo-2-iodo-1,3-phenylene)bis(oxy))bis(tert-butylbenzene) ─ ethanol (2/1), C26H28BrIO2
  26. Crystal structure of (E)-1-(4-(benzyloxy)-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C18H19NO3
  27. The crystal structure of N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)\ propanediamide hydrate, C25H26N6O4, 2(H2O)
  28. The crystal structure of 2,5-bis[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]cyclohexa-2,5-diene-1,4-dione, C28H26N6O4
  29. Crystal structure of 3,4-bis[2-(hydroxymethyl)-pyrrolidin-1-yl] cyclobut-3-ene-1,2-dione hydrate, C14H22N2O5
  30. The crystal structure of 2-(3,4–dichlorobenzyl)-1H-benzimidazole, C14H10Cl2N2
  31. The crystal structure of 2-(2-((4,6-dimethoxypyrimidin-2-yl)oxy)phenyl)-4-(piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidine, C28H27N5O4
  32. The crystal structure of 6-(benzofuran-2-yl)-2-oxo-4,5-diphenyl-3,4-dihydro-2H-pyran-3-carbonitrile, C26H17NO3
  33. Crystal structure of N-(4-bromobenzyl)-3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C18H15BrF2N4O
  34. The crystal structure of the host-guest complex: 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-diethyl ether (2/1)
  35. The crystal structure of (Z)-4-amino-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H17N3O2
  36. The crystal structure of diethyl 1,4-dihydro-2,6-dimethyl-4-(3-cyanophenyl)-3,5-pyridinedicarboxylate, C20H22N2O4
  37. Crystal structure of 3-(5-((4-(difluoromethoxy)phenyl) sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl) oxetane-3-carboxamide, C17H19F2N3O5S
  38. Crystal structure of 2-((2,6-dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-(2-(4-methylpiperazin-1-yl)ethyl)benzamide hydrate, C25H37Cl2N5O6
  39. Crystal structure of 3-(benzo[d]thiazol-2-yl)-5-bromo-2-hydroxybenzaldehyde, C14H8BrNO2S
  40. Crystal structure of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C11H10F2N4O
  41. Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-isopropyl-1H-imidazol-3-ium hexafluoridophosphate(V), C20H34F12N4P2
  42. Crystal structure of ethyl 5,6-dichloro-2-methyl-2,3-dihydro-1 H-benzo[d]imidazole-2-carboxylate, C11H12Cl2N2O2
  43. The crystal of structure of (OC-6-22)-pentakis(acetonitrile)bromidoruthenium(II)bromide monohydrate, C10H15Br2N5Ru
  44. Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
  45. The crystal structure of (E)-4-amino-N′-(1-(4-fluorophenyl)propylidene)benzohydrazide, C16H16FN3O
  46. The crystal structure of 2′-(9H-carbazol-9-yl)-[1,1′-binaphthalen]-2-amine, C32H22N2
  47. Crystal structure of poly[μ3-diiodido-[μ2-di(1H-pyrazol-1-yl)methane-κ2N,N′)]dicopper(I)], C7H8Cu2I2N4
  48. Crystal structure of 3-amino-N′-hydroxy-1H-pyrazole-4-carboximidamide, C4H7N5O
  49. The crystal structure of 1,3-diacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, C8H10O4N4
  50. Crystal structure of catena-poly[aqua-(μ2-1,4-diazabicyclo[2.2.2]octane-k2N: N′)-bis(sorbato-κ1O)-copper(II), C18H28CuN2O5
  51. Crystal structure of catena-poly[triaqua-(μ2 -1-(4-carboxylatophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ3O,O′:O′′)manganese(II)], C12H12N2O8Mn
  52. The crystal structure of [hexaaquamagnesium(II)] 4-[(pyridine-4-carbonyl)-amino]-phthalate trihydrate, C14H26N2O14Mg
  53. Crystal structure of 1-(p-tolylphenyl)-4-(2-furoyl)-3-methyl-1H-pyrazol-5-ol, C16H14N2O3
  54. The crystal structure of bis(1,4,7,10,13-pentaoxacyclopentadecane)-potassium(I) dichloridocopper(I), C20H40Cl2CuKO10
  55. The crystal structure of tris(tetra-n-butylammonium) hexanitrato-κ2O,O′-lanthanium(III) C48H108N9O18La
https://doi.org/10.1515/ncrs-2023-0478
Creative Commons
BY 4.0

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Solvothermal synthesis and crystal structure of aqua-tris(p-acetamidobenzoate-κ2O,O′)-(2,2′-bipyridine-κ2N,N′)terbium(III) - water - methanol (1/1/1)
  4. Crystal structure of hexaaquazinc(II) catena-poly[bis(1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ2O,O′)-bis(μ2-1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ2O:O′)trizinc(II)] hexahydrate C26H36N4O20Zn2
  5. The crystal structure of valinyl-N-ium-4-(5-(thiophen-2-yl)isoxazol-3-yl)phenyl trifluoroacetate
  6. Crystal structure of bis(3,5-diisopropyl-1H-pyrazol-4-ammonium) tetrafluoroterephthalate, 2[C9H18N3][C8F4O4]
  7. Crystal structure of aqua-octakis(μ3-salicylato)-(1,10-phenanthroline)-(acetonitrile)-dicobalt(II)-trititanium(IV), C70H45N3O25Co2Ti3
  8. Crystal structure of catena-poly[aqua-(μ2-4,4′-diimidazole diphenyl ether-κ2N:N′)-(sulfato-κ1O)-cobalt(II)] – dimethylformamide (2/1), C39H37CoN9O8S
  9. Crystal structure of (5R,8R,9R,10R,12R, 13R,14R,17S)-2-(E-3-fluorobenzylidene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C37H53FO3
  10. Crystal structure of (Z)-4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenyl diphenylphosphinate, C30H25O7P
  11. Crystal structure of 3-((5-methylpyridin-2-yl)amino)-1-phenylpropan-1-one, C15H16N2O
  12. The crystal structure of (R)-9-(5-methoxy-2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene)-9H-thioxanthene, C28H22OS
  13. Crystal structure of diaqua-bis[1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylato-κ2N,O)] manganese(II), C16H20MnN10O8
  14. The crystal structure of t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, C26H36FN3O6S
  15. The crystal structure of samarium sulfate pentahydrate, Sm2(SO4)3(H2O)5
  16. The crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylate-κ 4 N,O,O,O)-zinc(II)] monohydrate, C12H15NO9Zn
  17. The crystal structure of 2,3-difluoro-11H-benzo-[4,5]imidazo[2,1-a]isoindol-11-one, C14H6F2N2O
  18. The crystal structure of 2,3-di(9H-carbazol-9-yl)-9H-fluoren-9-one, C37H22N2O
  19. The crystal structure of 5-(2-chloro-3-(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)-10,11-dihydro-5H-dibenzo[b,f]azepine, C40H39ClN2
  20. Crystal structure of 2-bromo-1-hydroxy-3-(3-methylbut-2-enyloxy)-9H-xanthen-9-one, C18H15BrO4
  21. Crystal structure of bis(μ2-benzenesulfonato-κ2O:O′)-bis(μ2-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))-bis(2-methoxyphenolato-κ6O,O′:O′,N,N′,O′′:O′′,O′′′))disodium(I)dicopper(II)
  22. The crystal structure of (E)-1,2-bis(benzo[e][1,2]azaborinin-2(1H)-yl)ethene, C18H16B2N2
  23. Crystal structure of 3-oxo-urs-12-en-28-benzyl ester, C37H52O3
  24. The crystal structure of ethyl (E)-1-chloro-3-(4-chloro-1-methyl-1H-indole-2-carbonyl)-4-oxo-2-phenylcyclooct-2-ene-1-carboxylate, C27H25Cl2NO4
  25. The crystal structure of 4,4′-((5-bromo-2-iodo-1,3-phenylene)bis(oxy))bis(tert-butylbenzene) ─ ethanol (2/1), C26H28BrIO2
  26. Crystal structure of (E)-1-(4-(benzyloxy)-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C18H19NO3
  27. The crystal structure of N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)\ propanediamide hydrate, C25H26N6O4, 2(H2O)
  28. The crystal structure of 2,5-bis[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]cyclohexa-2,5-diene-1,4-dione, C28H26N6O4
  29. Crystal structure of 3,4-bis[2-(hydroxymethyl)-pyrrolidin-1-yl] cyclobut-3-ene-1,2-dione hydrate, C14H22N2O5
  30. The crystal structure of 2-(3,4–dichlorobenzyl)-1H-benzimidazole, C14H10Cl2N2
  31. The crystal structure of 2-(2-((4,6-dimethoxypyrimidin-2-yl)oxy)phenyl)-4-(piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidine, C28H27N5O4
  32. The crystal structure of 6-(benzofuran-2-yl)-2-oxo-4,5-diphenyl-3,4-dihydro-2H-pyran-3-carbonitrile, C26H17NO3
  33. Crystal structure of N-(4-bromobenzyl)-3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C18H15BrF2N4O
  34. The crystal structure of the host-guest complex: 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-diethyl ether (2/1)
  35. The crystal structure of (Z)-4-amino-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H17N3O2
  36. The crystal structure of diethyl 1,4-dihydro-2,6-dimethyl-4-(3-cyanophenyl)-3,5-pyridinedicarboxylate, C20H22N2O4
  37. Crystal structure of 3-(5-((4-(difluoromethoxy)phenyl) sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl) oxetane-3-carboxamide, C17H19F2N3O5S
  38. Crystal structure of 2-((2,6-dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-(2-(4-methylpiperazin-1-yl)ethyl)benzamide hydrate, C25H37Cl2N5O6
  39. Crystal structure of 3-(benzo[d]thiazol-2-yl)-5-bromo-2-hydroxybenzaldehyde, C14H8BrNO2S
  40. Crystal structure of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C11H10F2N4O
  41. Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-isopropyl-1H-imidazol-3-ium hexafluoridophosphate(V), C20H34F12N4P2
  42. Crystal structure of ethyl 5,6-dichloro-2-methyl-2,3-dihydro-1 H-benzo[d]imidazole-2-carboxylate, C11H12Cl2N2O2
  43. The crystal of structure of (OC-6-22)-pentakis(acetonitrile)bromidoruthenium(II)bromide monohydrate, C10H15Br2N5Ru
  44. Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C23H26O12·H2O
  45. The crystal structure of (E)-4-amino-N′-(1-(4-fluorophenyl)propylidene)benzohydrazide, C16H16FN3O
  46. The crystal structure of 2′-(9H-carbazol-9-yl)-[1,1′-binaphthalen]-2-amine, C32H22N2
  47. Crystal structure of poly[μ3-diiodido-[μ2-di(1H-pyrazol-1-yl)methane-κ2N,N′)]dicopper(I)], C7H8Cu2I2N4
  48. Crystal structure of 3-amino-N′-hydroxy-1H-pyrazole-4-carboximidamide, C4H7N5O
  49. The crystal structure of 1,3-diacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, C8H10O4N4
  50. Crystal structure of catena-poly[aqua-(μ2-1,4-diazabicyclo[2.2.2]octane-k2N: N′)-bis(sorbato-κ1O)-copper(II), C18H28CuN2O5
  51. Crystal structure of catena-poly[triaqua-(μ2 -1-(4-carboxylatophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ3O,O′:O′′)manganese(II)], C12H12N2O8Mn
  52. The crystal structure of [hexaaquamagnesium(II)] 4-[(pyridine-4-carbonyl)-amino]-phthalate trihydrate, C14H26N2O14Mg
  53. Crystal structure of 1-(p-tolylphenyl)-4-(2-furoyl)-3-methyl-1H-pyrazol-5-ol, C16H14N2O3
  54. The crystal structure of bis(1,4,7,10,13-pentaoxacyclopentadecane)-potassium(I) dichloridocopper(I), C20H40Cl2CuKO10
  55. The crystal structure of tris(tetra-n-butylammonium) hexanitrato-κ2O,O′-lanthanium(III) C48H108N9O18La
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 2.10.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2023-0478/html
Button zum nach oben scrollen