Startseite Crystal structure of 1-(2-(4-chlorophenethyl)-2-hydroxy-3,3-dimethylbutyl)-1H-1,2,4-triazol-4-ium nitrate, C16H23N4O4Cl
Artikel Open Access

Crystal structure of 1-(2-(4-chlorophenethyl)-2-hydroxy-3,3-dimethylbutyl)-1H-1,2,4-triazol-4-ium nitrate, C16H23N4O4Cl

  • Hua Wang ORCID logo EMAIL logo , Guo-tao Zhang und Hong-ya Li
Veröffentlicht/Copyright: 15. Dezember 2022
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 238 Heft 1

Abstract

C16H23N4O4Cl, triclinic, P 1 ‾ (no. 2), a = 7.609(2) Å, b = 9.287(3) Å, c = 13.511(4) Å, α = 90.530(7)°, β = 102.028(5)°, γ = 97.774(6)°, V = 924.4(5) Å3, Z = 2, R gt(F) = 0.0625, wR ref(F 2) = 0.1634, T = 296(2) K.

CCDC no.: 2213744

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: 0.36 × 0.25 × 0.18 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.24 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θ max, completeness: 27.6°, 99%
N(hkl)measured, N(hkl)unique, R int: 5398, 3907, 0.032
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 1881
N(param)refined: 318
Programs: Bruker [1], Shelx [2], [3], [4], Diamond [5]
Table 2:

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

Atom x y z U iso*/U eq
C1 0.3164 (5) 0.4280 (5) 0.4020 (3) 0.0551 (10)
H1 0.301 (4) 0.527 (4) 0.404 (2) 0.062 (11)*
C2 0.2547 (5) 0.1982 (4) 0.4147 (2) 0.0461 (8)
H2 0.198 (4) 0.103 (4) 0.422 (2) 0.060 (11)*
C3 0.5154 (5) 0.1279 (4) 0.3460 (3) 0.0468 (9)
H3A 0.633 (5) 0.182 (4) 0.348 (2) 0.065 (11)*
H3B 0.522 (4) 0.051 (4) 0.398 (3) 0.066 (11)*
C4 0.4340 (4) 0.0487 (3) 0.2435 (2) 0.0379 (7)
C5 0.5718 (4) −0.0531 (3) 0.2190 (2) 0.0430 (8)
C6 0.7408 (6) 0.0384 (5) 0.1950 (4) 0.0633 (12)
H6A 0.712 (5) 0.080 (4) 0.134 (3) 0.081 (16)*
H6B 0.811 (5) 0.094 (4) 0.254 (3) 0.081 (14)*
H6C 0.835 (5) −0.026 (4) 0.184 (2) 0.071 (11)*
C7 0.4796 (7) −0.1562 (5) 0.1282 (4) 0.0649 (12)
H7A 0.433 (5) −0.116 (4) 0.070 (3) 0.076 (14)*
H7B 0.575 (5) −0.218 (4) 0.117 (2) 0.072 (11)*
H7C 0.357 (7) −0.217 (5) 0.136 (3) 0.111 (16)*
C8 0.6377 (7) −0.1477 (5) 0.3074 (3) 0.0655 (12)
H8A 0.546 (5) −0.193 (4) 0.329 (3) 0.057 (12)*
H8B 0.714 (4) −0.222 (4) 0.286 (2) 0.063 (10)*
H8C 0.739 (7) −0.084 (6) 0.368 (4) 0.14 (2)*
C9 0.3875 (5) 0.1543 (4) 0.1589 (3) 0.0469 (9)
H9A 0.388 (4) 0.108 (4) 0.092 (3) 0.070 (11)*
H9B 0.474 (4) 0.233 (3) 0.167 (2) 0.036 (9)*
C10 0.2045 (5) 0.2107 (5) 0.1439 (3) 0.0526 (9)
H10A 0.105 (5) 0.129 (4) 0.138 (2) 0.073 (12)*
H10B 0.202 (4) 0.279 (3) 0.202 (2) 0.051 (9)*
C11 0.1731 (4) 0.2968 (4) 0.0493 (2) 0.0430 (8)
C12 0.0635 (5) 0.2371 (4) −0.0396 (3) 0.0512 (9)
H12 0.006 (5) 0.15 (4) −0.037 (3) 0.071 (13)*
C13 0.0447 (5) 0.3118 (4) −0.1284 (3) 0.0547 (10)
H13 −0.016 (5) 0.270 (4) −0.188 (3) 0.072 (12)*
C14 0.1397 (4) 0.4478 (4) −0.1291 (3) 0.0496 (9)
C15 0.2461 (5) 0.5113 (5) −0.0418 (3) 0.0600 (10)
H15 0.303 (5) 0.598 (4) −0.049 (3) 0.071 (13)*
C16 0.2624 (5) 0.4358 (4) 0.0462 (3) 0.0577 (10)
H16 0.337 (4) 0.488 (3) 0.107 (2) 0.054 (9)*
O1 0.2647 (3) −0.0367 (2) 0.25060 (19) 0.0450 (6)
H1A 0.283 (5) −0.087 (4) 0.305 (3) 0.093 (16)*
O2 0.2807 (3) 0.7757 (3) 0.41521 (19) 0.0669 (8)
O3 0.0820 (3) 0.8753 (3) 0.4736 (2) 0.0726 (8)
O4 0.0974 (3) 0.6481 (3) 0.4917 (2) 0.0662 (8)
N1 0.4001 (3) 0.2276 (3) 0.37638 (18) 0.0428 (7)
N2 0.4427 (4) 0.3744 (3) 0.3677 (2) 0.0543 (8)
N3 0.1997 (4) 0.3242 (3) 0.4313 (2) 0.0492 (7)
H3 0.089 (5) 0.337 (4) 0.458 (3) 0.081 (12)*
N4 0.1500 (4) 0.7670 (3) 0.4586 (2) 0.0481 (7)
Cl1 0.12516 (16) 0.53875 (13) −0.24181 (8) 0.0884 (4)

Source of material

68% HNO3 (0.03 mL, 0.530 mmol) was added dropwise at room temperature to 3-((1H-1,2,4-triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol (0.742 g, 0.200 mmol) in methanol (10 mL). The resulting solution was stirred for 2 h. Colourless block crystals of the title compound were obtained by slow evaporation from methanol.

Experimental details

The C, N, O, Cl atoms were obtained by Direct Methods, the hydrogen atoms were obtained by geometric calculation after their existences were approved by difference Fourier synthesis.

Comment

Tebuconazole, (RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol, a widely used triazole fungicide, as a demethylation inhibitor of sterol biosynthesis in plant fungi [6], has been registered and used for pathogen control in more than 60 crops worldwide [7]. It is usually used as foliar spray and seed treatment to control many fungal diseases such as wheat sheath blight, apple rot disease, strawberry gray mold, and onion white rot [8], [9], [10], [11]. The electron cloud density on the triazole ring is high, and nitrogen has lone pair electrons, which is conducive to metal coordination [12], [13], [14], [15], [16] and hydrogen binding.

The title salt is shown in the figure. The combination of H atoms with N3, indicates that N3 has the highest charge density among all N atoms in the triazole ring. Four neighbouring ions are linked by electrostatic attractions and hydrogen bonds: O1–H1A···O2i (dO1···O2 = 2.830(4) Å, 169.4(4)°, symmetry codes: (i) x, y − 1, z); N3–H3···O3ii (dN3···O3 = 3.130(4) Å, 120(3)°, symmetry code: (ii) −x, −y + 1, −z + 1); N3–H3···O4ii (dN3···O4 = 2.719(4) Å, 177(3)°); N3–H3···N4ii (dN3···N4 = 3.328(4) Å, 148(3)°). The geometric parameters of the title structure are all in the expected ranges [17].

Corresponding author: Hua Wang, School of Chemistry and Chemical Engineering, Yulin University, Yulin, Shaanxi 719000, P. R. China, E-mail:

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: 22163012

Funding source: Shaanxi Science and Technology Department Project

Award Identifier / Grant number: 2020NY-165

Funding source: Key Laboratory Project Foundation of Shaanxi Provincial Education Department in China

Award Identifier / Grant number: 20JS158

Funding source: Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy

Award Identifier / Grant number: YLU-DNL Fund 2022010

Funding source: Yulin National High-tech Industrial Development Zone Science and Technology Plan Project

Award Identifier / Grant number: CXY-2021–20, CXY-2021–42

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

  2. Research funding: The work was supported by National Natural Science Foundation of China (22163012), Shaanxi Science and Technology Department Project (2020NY-165)，Key Laboratory Project Foundation of Shaanxi Provincial Education Department in China (20JS158), Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy (YLU-DNL Fund 2022010), Yulin National High-tech Industrial Development Zone Science and Technology Plan Project (CXY-2021–20, CXY-2021–42).

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

References

1. Bruker. APEX2, SAINT and SADABS; Bruker AXS Inc.: Madison, Wisconsin, USA, 2009.Suche in Google Scholar

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

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. 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

5. Brandenburg, K. DIAMOND; Crystal Impact GbR: Bonn Germany, 2006.Suche in Google Scholar

6. Bowen, K. L., Hagan, A. K., Weeks, J. R. Number of tebuconazole applications for maximizing disease control and yield of peanut in growers’ fields in Alabama. Plant Dis. 1997, 81, 927–931; https://doi.org/10.1094/pdis.1997.81.8.927.Suche in Google Scholar

7. Shi, N. N., Ruan, H. C., Chen, F. R., Zhang, Y. L., Yang, X. J., Dai, Y. L., Gan, L., Du, Y. X. Development and application of an allele-specific PCR assay for detecting T409C mutation of cyp51 gene linked with tebuconazole resistance in Villosiclava virens (rice false smut). Can. J. Plant Pathol. 2017, 39, 318–324; https://doi.org/10.1080/07060661.2017.1356873.Suche in Google Scholar

8. Clarkson, J. P., Scruby, A., Mead, A., Wright, C., Smith, B., Whipps, J. M. Integrated control of Allium white rot with Trichoderma viride, tebuconazole and composted onion waste. Plant Pathol. 2006, 55, 375–386; https://doi.org/10.1111/j.1365-3059.2006.01389.x.Suche in Google Scholar

9. Fan, K., Wang, J., Fu, L., Li, X., Zhang, Y., Zhang, X., Zhai, H., Qu, J. Sensitivity of Botryosphaeria dothidea from apple to tebuconazole in China. Crop Protect. 2016, 87, 1–5; https://doi.org/10.1016/j.cropro.2016.04.018.Suche in Google Scholar

10. Homdork, S., Fehrmann, H., Beck, R. Effects of field application of tebuconazole on yield, yield components and the mycotoxin content of fusarium-infected wheat grain. J. Phytopathol. 2000, 148, 1–6; https://doi.org/10.1111/j.1439-0434.2000.tb04617.x.Suche in Google Scholar

11. Kim, J. O., Shin, J. H., Gumilang, A., Chung, K., Choi, K. Y., Kim, K. S. Effectiveness of different classes of fungicides on Botrytis cinerea causing gray mold on fruit and vegetables. Plant Pathol. J. 2016, 32, 570–574; https://doi.org/10.5423/ppj.nt.05.2016.0114.Suche in Google Scholar PubMed PubMed Central

12. Zhang, P.-Z., Wu, J. A copper(II) complex of the fungicide tebuconazole. Acta Crystallogr. 2005, E61, m560–m562; https://doi.org/10.1107/s1600536805004939.Suche in Google Scholar

13. Evans, P. D., Schmalzl, K. J., Forsyth, C. M., Fallon, G. D., Schmid, S., Bendixen, B., Heimdal, S. Formation and structure of metal complexes with the fungicides tebuconazole and propiconazole. J. Wood Chem. Technol. 2007, 27, 243–256; https://doi.org/10.1080/02773810701702220.Suche in Google Scholar

14. Liu, H.-J. The crystal structure of dibromido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1N) zinc(II), C30H34Br2Cl2N8Zn. Z. Kristallogr. N. Cryst. Struct. 2022, 237, 1027–1028; https://doi.org/10.1515/ncrs-2022-0342.Suche in Google Scholar

15. Zhang, Y., Li, M. Crystal structure of dichlorido-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl) pent-1-en-3-ol-κ1N)cadmium(II), C60H68O4N12Cl10Cd. Z. Kristallogr. N. Cryst. Struct. 2022, 237, 949–951; https://doi.org/10.1515/ncrs-2022-0322.Suche in Google Scholar

16. Liu, H.-J. The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1N) zinc(II), C30H34Cl4N8Zn. Z. Kristallogr. N. Cryst. Struct. 2022, 237, 849–851; https://doi.org/10.1515/ncrs-2022-0226.Suche in Google Scholar

17. Allen, F. H., Kennard, O., Watson, D. G. Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds. J. Chem. Soc., Perkin Trans. 1987, 2, S1–S19; https://doi.org/10.1039/p298700000s1.Suche in Google Scholar
Received: 2022-11-03
Accepted: 2022-12-03
Published Online: 2022-12-15
Published in Print: 2023-01-27

© 2022 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. Crystal structure of undecacalcium decaarsenide, Ca11As10
  4. Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4- ylmethylene)amino)-1,2-dihydro-3H -pyrazol-3-one-κ2 N: O)zinc(II)], C17H16I2N4OZn
  5. The crystal structure of 5,10,15,20-tetrakis(4-(tert-butyl)phenyl)porphyrin-21,23-diido-κ4 N 4-naphthalocyanido-κ4 N 4-neodymium(IV) - chloroform (1/6) C114H90N12Cl18Nd
  6. The crystal structure of 1-(4-bromophenyl)-3-(2-chlorobenzyl)urea, C14H12BrClN2O
  7. Crystal structure of bis[benzyl(methyl)carbamodithioato-κ 2 S,S′]-di-n-butyltin(IV), C26H38N2S4Sn
  8. Crystal structure of (E)-3-(2-(4-(diethylamino)-2-hydroxystyryl)-3,3-dimethyl-3H-indol-1-ium-1-yl)propane-1-sulfonate – methanol (1/2), C25H32N2O4S⋅2CH3OH
  9. Synthesis and crystal structure of {(N′,N″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methaneylylidene))bis(2-hydroxybenzohydrazonato)-κ6 N 2 O 4}copper(II), C30H24CuN4O6
  10. The crystal structure of ((E)-2,4-dibromo-6-(((5-(nitro)-2-oxidophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Br2MnN5O4
  11. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3-(p-tolylamino)hexadecahydro-1H-cyclopenta-[a]phenanthren-17-yl)ethan-1-one, C28H41NO
  12. The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid—pyrazine-2-carboxamide(1/1), C13H10N4O7
  13. Crystal structure of poly[tetrakis(μ3-2-aminonicotinato-κ3N,O,O′)-(μ2-oxalato-κ4 O,O′:O″,O′″)-(μ4-oxalato-κ6 N:N′:O,O′:O″,O′″)dicopper(I)-disamarium(III)], [SmCu(C6N2H5O2)2(C2O4)] n
  14. The crystal structure of 2,3,4-trihydroxybenzoic- acid—pyrazine-2-carboxamide—water (1/1/1), C12H13N3O7
  15. Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S
  16. The crystal structure of 3-anilino-1,4-diphenyl-4H-1,2,4-triazol-1-ium iodide, C20H17N4I
  17. The crystal structure of (tris(2-benzimidazolylmethyl)amine)-benzoato-copper(II) perchlorate monohydrate, CuC31H28N7O7Cl
  18. Crystal structure of [2-hydroxy-3-methyl-benzoato-k1 O-triphenyltin(IV)], C26H22O3Sn
  19. Crystal structure of diaqua-bis(4-(hydroxymethyl)-benzoato-k1 O)zinc(II), C16H18O8Zn
  20. The crystal structure of dicarbonyl-(N-nitroso-N-oxido-phenylamine-κ 2 O,O)-rhodium(I), C8H5N2O4Rh
  21. The crystal structure of oxalic acid – 2-ethoxybenzamide (2/1), C20H24N2O8
  22. The crystal structure of ethyl 7-ethyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C10H15N5O2
  23. Crystal structure of poly[(N,N-dimethylacetamide-κO) (μ4-2-nitroisophthalato-κ 4 O:O′:O″:O′″)manganese(II)], C11H10N2O7Mn
  24. Crystal structure of 14-O-acetyldelcosine, C26H41NO8
  25. The crystal structure of poly[(1,10-phenanthroline-κ2 N,N′)-(μ 4-2-chlorobenzene-1,3-dicarboxylato-κ5 O:O′:O″:O‴) cadmium(II)] monohydrate, C20H13CdClN2O5
  26. Crystal structure of propane-1,3-diylbis(diphenylphosphine sulfide) ethanol solvate, C27H26P2S2
  27. Crystal structure of bis{[(4-diethylamino-2-hydroxy-benzylidene)-hydrazinocarbonylmethyl]-trimethylammonium} tetrabromozincate, C32H54N8O4ZnBr4
  28. Synthesis and crystal structure of dimethyl 2,2′-(2,5-bis(4-hydroxyphenyl)-2,5-dihydrofuran-3,4-diyl)dibenzoate, C34H30O7
  29. Synthesis and crystal structure of 2-(2-oxo-2-phenylethyl)-4H-chromen-4-one, C17H12O3
  30. The crystal structure of tetra(imidazole-κ1 N)zinc(II) μ2-oxido-hexaoxido-divanadium(VI) C12H16N8O6V2Zn
  31. Crystal structure of S-2-(1-(5-methylpyridin-2-ylamino)octyl)-3-hydroxynaphthalene-1,4-dione, C24H28N2O3
  32. Crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxido-2-oxo-2-phenylethylidene)-benzohydrazonato-κ5 N,O,O′:N′,O′′)-oktakis(pyridine-κ1 N)trinickel(II) – methanol – pyridine (1/1/1) C76H65N13Cl2Ni3O9
  33. The crystal structure of methyl 3,5-diaminobenzoate, C8H10N2O2
  34. Crystal structure of 10-(9H-carbazol-9-yl)-5H-dibenzo[a,d][7]annelen-5-one, C27H17NO
  35. Crystal structure of ethyl 1-(2-hydroxyethyl)-4-((4-methoxyphenyl)amino)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, C16H20N2O5
  36. The crystal structure of 1-(4-bromophenyl)-3-cycloheptylurea, C14H19BrN2O
  37. The crystal structure of 1,4-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3,6-bis ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)-1,4-dialuminacyclohexane – benzene (1/2), C50H72Al2B2O4
  38. Crystal structure of bis(μ 3-diphenylphosphinato)-tetrakis(μ 2-diphenylphosphinato)-bis(diphenylphosphinato)-bis(μ 2-hydroxo)dicopper(II)-ditin(IV), C104H100O18P8Cu2Sn2
  39. Crystal structure of 3-((3,4-dichloroisothiazol-5-yl)methoxy)benzo[d] isothiazole 1,1-dioxide, C11H6Cl2N2O3S2
  40. Synthesis and crystal structure of 2-(2-(2-fluorophenyl)-2-oxoethyl)-4H-chromen-4-one, C17H11FO3
  41. The crystal structure of tris(carbonyl)-bis(carbonyl)-[μ-propane-1,2- dithiolato]-(benzyldiphenylphosphine)diiron (Fe—Fe), C27H23Fe2O5PS2
  42. Crystal structure of 1-(2-(4-chlorophenethyl)-2-hydroxy-3,3-dimethylbutyl)-1H-1,2,4-triazol-4-ium nitrate, C16H23N4O4Cl
  43. The crystal structure of 3,3′-disulfanediyldi(1H-1,2,4-triazol-5-amine) monohydrate, C4H8N8OS2
  44. The crystal structure of trans-[bis(4-methylpyridine-κN)bis(quinoline-2-carboxylato- κ 2 N,O)cadmium(II)], C32H26CdN4O4
  45. The crystal structure of ethyl 2′-hydroxy-4′,6′-dimethoxy-3-(4-methoxynaphthalen-1-yl)-5-oxo-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxylate, C28H28O7
https://doi.org/10.1515/ncrs-2022-0512
Creative Commons
BY 4.0

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of undecacalcium decaarsenide, Ca11As10
  4. Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4- ylmethylene)amino)-1,2-dihydro-3H -pyrazol-3-one-κ2 N: O)zinc(II)], C17H16I2N4OZn
  5. The crystal structure of 5,10,15,20-tetrakis(4-(tert-butyl)phenyl)porphyrin-21,23-diido-κ4 N 4-naphthalocyanido-κ4 N 4-neodymium(IV) - chloroform (1/6) C114H90N12Cl18Nd
  6. The crystal structure of 1-(4-bromophenyl)-3-(2-chlorobenzyl)urea, C14H12BrClN2O
  7. Crystal structure of bis[benzyl(methyl)carbamodithioato-κ 2 S,S′]-di-n-butyltin(IV), C26H38N2S4Sn
  8. Crystal structure of (E)-3-(2-(4-(diethylamino)-2-hydroxystyryl)-3,3-dimethyl-3H-indol-1-ium-1-yl)propane-1-sulfonate – methanol (1/2), C25H32N2O4S⋅2CH3OH
  9. Synthesis and crystal structure of {(N′,N″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methaneylylidene))bis(2-hydroxybenzohydrazonato)-κ6 N 2 O 4}copper(II), C30H24CuN4O6
  10. The crystal structure of ((E)-2,4-dibromo-6-(((5-(nitro)-2-oxidophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Br2MnN5O4
  11. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3-(p-tolylamino)hexadecahydro-1H-cyclopenta-[a]phenanthren-17-yl)ethan-1-one, C28H41NO
  12. The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid—pyrazine-2-carboxamide(1/1), C13H10N4O7
  13. Crystal structure of poly[tetrakis(μ3-2-aminonicotinato-κ3N,O,O′)-(μ2-oxalato-κ4 O,O′:O″,O′″)-(μ4-oxalato-κ6 N:N′:O,O′:O″,O′″)dicopper(I)-disamarium(III)], [SmCu(C6N2H5O2)2(C2O4)] n
  14. The crystal structure of 2,3,4-trihydroxybenzoic- acid—pyrazine-2-carboxamide—water (1/1/1), C12H13N3O7
  15. Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S
  16. The crystal structure of 3-anilino-1,4-diphenyl-4H-1,2,4-triazol-1-ium iodide, C20H17N4I
  17. The crystal structure of (tris(2-benzimidazolylmethyl)amine)-benzoato-copper(II) perchlorate monohydrate, CuC31H28N7O7Cl
  18. Crystal structure of [2-hydroxy-3-methyl-benzoato-k1 O-triphenyltin(IV)], C26H22O3Sn
  19. Crystal structure of diaqua-bis(4-(hydroxymethyl)-benzoato-k1 O)zinc(II), C16H18O8Zn
  20. The crystal structure of dicarbonyl-(N-nitroso-N-oxido-phenylamine-κ 2 O,O)-rhodium(I), C8H5N2O4Rh
  21. The crystal structure of oxalic acid – 2-ethoxybenzamide (2/1), C20H24N2O8
  22. The crystal structure of ethyl 7-ethyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C10H15N5O2
  23. Crystal structure of poly[(N,N-dimethylacetamide-κO) (μ4-2-nitroisophthalato-κ 4 O:O′:O″:O′″)manganese(II)], C11H10N2O7Mn
  24. Crystal structure of 14-O-acetyldelcosine, C26H41NO8
  25. The crystal structure of poly[(1,10-phenanthroline-κ2 N,N′)-(μ 4-2-chlorobenzene-1,3-dicarboxylato-κ5 O:O′:O″:O‴) cadmium(II)] monohydrate, C20H13CdClN2O5
  26. Crystal structure of propane-1,3-diylbis(diphenylphosphine sulfide) ethanol solvate, C27H26P2S2
  27. Crystal structure of bis{[(4-diethylamino-2-hydroxy-benzylidene)-hydrazinocarbonylmethyl]-trimethylammonium} tetrabromozincate, C32H54N8O4ZnBr4
  28. Synthesis and crystal structure of dimethyl 2,2′-(2,5-bis(4-hydroxyphenyl)-2,5-dihydrofuran-3,4-diyl)dibenzoate, C34H30O7
  29. Synthesis and crystal structure of 2-(2-oxo-2-phenylethyl)-4H-chromen-4-one, C17H12O3
  30. The crystal structure of tetra(imidazole-κ1 N)zinc(II) μ2-oxido-hexaoxido-divanadium(VI) C12H16N8O6V2Zn
  31. Crystal structure of S-2-(1-(5-methylpyridin-2-ylamino)octyl)-3-hydroxynaphthalene-1,4-dione, C24H28N2O3
  32. Crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxido-2-oxo-2-phenylethylidene)-benzohydrazonato-κ5 N,O,O′:N′,O′′)-oktakis(pyridine-κ1 N)trinickel(II) – methanol – pyridine (1/1/1) C76H65N13Cl2Ni3O9
  33. The crystal structure of methyl 3,5-diaminobenzoate, C8H10N2O2
  34. Crystal structure of 10-(9H-carbazol-9-yl)-5H-dibenzo[a,d][7]annelen-5-one, C27H17NO
  35. Crystal structure of ethyl 1-(2-hydroxyethyl)-4-((4-methoxyphenyl)amino)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, C16H20N2O5
  36. The crystal structure of 1-(4-bromophenyl)-3-cycloheptylurea, C14H19BrN2O
  37. The crystal structure of 1,4-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3,6-bis ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)-1,4-dialuminacyclohexane – benzene (1/2), C50H72Al2B2O4
  38. Crystal structure of bis(μ 3-diphenylphosphinato)-tetrakis(μ 2-diphenylphosphinato)-bis(diphenylphosphinato)-bis(μ 2-hydroxo)dicopper(II)-ditin(IV), C104H100O18P8Cu2Sn2
  39. Crystal structure of 3-((3,4-dichloroisothiazol-5-yl)methoxy)benzo[d] isothiazole 1,1-dioxide, C11H6Cl2N2O3S2
  40. Synthesis and crystal structure of 2-(2-(2-fluorophenyl)-2-oxoethyl)-4H-chromen-4-one, C17H11FO3
  41. The crystal structure of tris(carbonyl)-bis(carbonyl)-[μ-propane-1,2- dithiolato]-(benzyldiphenylphosphine)diiron (Fe—Fe), C27H23Fe2O5PS2
  42. Crystal structure of 1-(2-(4-chlorophenethyl)-2-hydroxy-3,3-dimethylbutyl)-1H-1,2,4-triazol-4-ium nitrate, C16H23N4O4Cl
  43. The crystal structure of 3,3′-disulfanediyldi(1H-1,2,4-triazol-5-amine) monohydrate, C4H8N8OS2
  44. The crystal structure of trans-[bis(4-methylpyridine-κN)bis(quinoline-2-carboxylato- κ 2 N,O)cadmium(II)], C32H26CdN4O4
  45. The crystal structure of ethyl 2′-hydroxy-4′,6′-dimethoxy-3-(4-methoxynaphthalen-1-yl)-5-oxo-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxylate, C28H28O7
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 27.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2022-0512/html
Button zum nach oben scrollen