Home The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
Article Open Access

The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn

  • Hui-Jin Liu ORCID logo EMAIL logo
Published/Copyright: July 15, 2022
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 237 Issue 5

Abstract

C30H34Cl4N8Zn, orthorhombic, Pca21 (no. 29), a = 20.235(2) Å, b = 6.5462(8) Å, c = 27.386(3) Å, V = 3627.6(7) Å3, Z = 4, R gt(F) = 0.0477, wR ref(F 2) = 0.1128, T = 293(2) K.

CCDC No.: 1060434

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 rodlike
Size: 0.36 × 0.30 × 0.20 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 1.00 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θ max, completeness: 26.4°, >99%
N(hkl)measured, N(hkl)unique, R int: 18,750, 7301, 0.055
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 4734
N(param)refined: 391
Programs: Bruker [1], SHELX [2], [3], [4], Mercury [5]
Table 2:

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

Atom x y z U iso*/U eq
Zn 0.87718 (3) 1.06525 (8) 0.61066 (6) 0.04490 (19)
Cl1 0.8926 (2) 0.9802 (8) 0.8258 (2) 0.158 (2)
Cl2 0.87944 (10) 1.2489 (5) 0.67869 (9) 0.0741 (8)
Cl3 0.8569 (2) 0.9981 (6) 0.39289 (19) 0.150 (2)
Cl4 0.87477 (10) 1.2484 (5) 0.54239 (9) 0.0752 (9)
N1 0.9556 (2) 0.8711 (7) 0.6152 (3) 0.0447 (13)
N2 1.0540 (2) 0.7727 (7) 0.63557 (19) 0.0355 (12)
N3 1.0278 (2) 0.6141 (7) 0.6108 (3) 0.0468 (12)
N4 1.1078 (4) 0.2591 (12) 0.6891 (3) 0.069 (2)
N5 0.7990 (2) 0.8707 (8) 0.6056 (3) 0.0448 (14)
N6 0.7001 (2) 0.7751 (8) 0.58506 (19) 0.0378 (13)
N7 0.7261 (2) 0.6137 (7) 0.6108 (3) 0.0476 (12)
N8 0.6487 (4) 0.2602 (10) 0.5325 (3) 0.0647 (19)
C1 1.0102 (3) 0.9231 (12) 0.6387 (2) 0.0407 (15)
H1 1.016823 1.046144 0.654970 0.049*
C2 0.9692 (3) 0.6798 (10) 0.5990 (3) 0.047 (2)
H2 0.939289 0.602508 0.581008 0.057*
C3 1.1183 (3) 0.7626 (9) 0.6583 (2) 0.0376 (15)
H3A 1.148817 0.697055 0.635890 0.045*
H3B 1.134068 0.900636 0.663839 0.045*
C4 1.1196 (3) 0.6464 (14) 0.7070 (3) 0.0381 (19)
C5 1.1884 (3) 0.6745 (12) 0.7302 (3) 0.051 (2)
H5A 1.221437 0.628776 0.706917 0.061*
H5B 1.195609 0.819181 0.735645 0.061*
C6 1.1997 (4) 0.5619 (16) 0.7784 (4) 0.073 (3)
H6A 1.195791 0.415904 0.773004 0.088*
H6B 1.166071 0.602090 0.801667 0.088*
C7 1.2663 (5) 0.608 (2) 0.7989 (4) 0.117 (4)
H7A 1.299345 0.570633 0.774833 0.141*
H7B 1.269547 0.754410 0.803946 0.141*
C8 1.2821 (8) 0.5063 (18) 0.8444 (6) 0.140 (7)
H8A 1.321026 0.566517 0.858348 0.210*
H8B 1.289865 0.363841 0.838356 0.210*
H8C 1.245823 0.520985 0.866762 0.210*
C9 1.1112 (4) 0.4264 (17) 0.6980 (3) 0.045 (2)
C10 1.0626 (3) 0.7230 (12) 0.7399 (2) 0.0434 (18)
C11 1.0007 (4) 0.6271 (14) 0.7396 (3) 0.067 (2)
H11 0.994541 0.509738 0.721033 0.080*
C12 0.9495 (4) 0.7038 (19) 0.7662 (4) 0.096 (3)
H12 0.908957 0.636852 0.766850 0.115*
C13 0.9586 (5) 0.8808 (19) 0.7919 (4) 0.089 (3)
C14 1.0193 (5) 0.9807 (14) 0.7941 (5) 0.070 (4)
H14 1.025263 1.097185 0.813034 0.084*
C15 1.0698 (4) 0.8986 (13) 0.7670 (3) 0.060 (2)
H15 1.110554 0.964435 0.766925 0.072*
C16 0.7443 (3) 0.9228 (11) 0.5822 (3) 0.0410 (15)
H16 0.737891 1.046100 0.565997 0.049*
C17 0.7852 (3) 0.6806 (10) 0.6224 (3) 0.049 (2)
H17 0.815021 0.604161 0.640683 0.059*
C18 0.6355 (3) 0.7635 (10) 0.5626 (2) 0.0379 (16)
H18A 0.605343 0.695430 0.584788 0.045*
H18B 0.619066 0.900832 0.557189 0.045*
C19 0.6360 (4) 0.6476 (14) 0.5134 (3) 0.0379 (19)
C20 0.5654 (3) 0.6726 (13) 0.4915 (3) 0.050 (2)
H20A 0.533445 0.627481 0.515614 0.060*
H20B 0.557553 0.816574 0.485534 0.060*
C21 0.5536 (4) 0.5577 (16) 0.4451 (4) 0.071 (3)
H21A 0.557673 0.412533 0.451543 0.085*
H21B 0.587498 0.594678 0.421653 0.085*
C22 0.4865 (5) 0.599 (2) 0.4231 (4) 0.111 (4)
H22A 0.483666 0.742823 0.414349 0.134*
H22B 0.452717 0.572187 0.447351 0.134*
C23 0.4728 (8) 0.472 (3) 0.3783 (6) 0.164 (8)
H23A 0.434054 0.522343 0.362084 0.246*
H23B 0.465746 0.332184 0.387821 0.246*
H23C 0.509875 0.479056 0.356497 0.246*
C24 0.6450 (4) 0.4289 (17) 0.5239 (3) 0.045 (2)
C25 0.6907 (3) 0.7262 (11) 0.4807 (3) 0.0430 (17)
C26 0.7515 (4) 0.6352 (14) 0.4806 (3) 0.066 (2)
H26 0.758076 0.515535 0.498249 0.080*
C27 0.8042 (4) 0.7202 (18) 0.4542 (4) 0.092 (3)
H27 0.845777 0.660050 0.454809 0.110*
C28 0.7929 (5) 0.8939 (19) 0.4276 (3) 0.083 (3)
C29 0.7342 (6) 0.9867 (15) 0.4281 (5) 0.083 (4)
H29 0.728219 1.107701 0.410837 0.100*
C30 0.6824 (4) 0.9040 (12) 0.4540 (3) 0.057 (2)
H30 0.641461 0.968343 0.453668 0.068*

Source of material

The (RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl) hexanenitrile (0.578 g, 0.200 mmol) was dissolved in ethanol absolute (10 mL). Then, ZnCl2 (0.136 g, 0.100 mmol) was added. The reaction mixture was allowed to stir at room temperature for 2 h. Colourless rod-like crystals of the title compound were obtained by slow evaporation from ethanol.

Experimental details

Refinement as a two-component inversion twin was undertaken. All H atoms were placed geometrically and refined using a riding-model approximation, with C–H distances of 0.93 Å (aromatic), 0.97 Å (methylene), 0.96 Å (methyl), U iso(H) = 1.2U eq (aromatic and methylene) and 1.5U eq(methyl) respectively.

Comment

Triazole fungicides, containing 1,2,4-triazole groups in the main chain, are used worldwide to protect fruits, vegetables and crops because of their excellent antifungal activity [6]. Myclobutanil (MT), (RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl) hexanenitrile, is a typical triazole fungicide used for the control of powdery mildew and scabbing of plants [7], [8], [9]. The pharmacological and toxicological properties of many drugs are improved when they form Zn(II) complexes [10], [11], [12]. In this paper, a new myclobutanil Zn(II) complex is described.

The title compound crystallizes in the orthorhombic Pca21 space group with one title complex in the asymmetric unit. The Zn(II) is four-coordinated by two chlorine atoms and two nitrogen atoms and the Zn(II) center has a distorted tetrahedral structure. The Zn–N lengths (Zn1–N1 = 2.037(4) Å; Zn–N5 = 2.036(5) Å) and the Zn–Cl lengths (Zn–Cl2 = 2.218(3) Å; Zn–Cl4 = 2.221(3) Å), the N1–Zn–N5, Cl2–Zn–Cl4 and N–Zn–Cl bond angles of 102.69(16)°, 114.51(6)° and 105.3(2)–114.3(2)°, respectively. These are in agreement with closely related Zn(II) complexes reported [13, 14].

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

Funding source: Yulin City Industry-University-Research Cooperation

Award Identifier / Grant number: CXY-2020-004-02

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

Award Identifier / Grant number: CXY-2021-33

  1. Author contributions: The author has accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: The work was supported by Yulin City Industry-University-Research Cooperation Project (CXY-2020-004-02), Yulin National High-tech Industrial Development Zone Science and Technology Plan Project (CXY-2021-33).

  3. Conflict of interest statement: The author declares no conflicts of interest regarding this article.

References

1. Bruker. Apex2, Saint and Sadabs; Bruker AXS Inc.: Madison, Wisconsin, USA, 2009.Search in Google Scholar

2. Sheldrick, G. M. SHELXTL – integrated space-group and crystal-structure determination. Acta Crystallogr. 2015, A71, 3–8.10.1107/S2053273314026370Search in Google Scholar

3. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8.10.1107/S2053229614024218Search in Google Scholar

4. Sheldrick, G. M. A short history of SHELX. Acta Crystallogr. 2008, A64, 112–122.10.1107/S0108767307043930Search in Google Scholar PubMed

5. Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J., Wood, P. A. Mercury CSD 2.0 - new features for the visualization and investigation of crystal structures. J. Appl. Crystallogr. 2008, 41, 466–470.10.1107/S0021889807067908Search in Google Scholar

6. Hao, W., Hu, X., Zhu, F., Chang, J., Li, J., Li, W., Wang, H., Guo, B., Li, J., Xu, P., Zhang, Y. Enantioselective distribution, degradation, and metabolite formation of myclobutanil and transcriptional responses of metabolic-related genes in rats. Environ. Sci. Technol. 2018, 52, 8830–8837.10.1021/acs.est.8b01721Search in Google Scholar PubMed

7. Quinn, J. A., Fujimoto, T. T., Egan, A. R., Shaber, S. H. The properties of RH 3866, a new triazole fungicide. Pestic. Sci. 1986, 17, 357–362.10.1002/ps.2780170406Search in Google Scholar

8. Fujimoto, T. T., Shaber, S. H., Chan, H. F., Quinn, J. A., Carlson, G. R. Successful exploitation of 2-cyano arylethyltriazoles as agricultural fungicides. In Synthesis and Chemistry of Agrochemicals; Baker, D. R., Fenyes, J. G., Moberg, W. K., Cross, B., Eds.; American Chemical Society: Washington, DC, 1987; pp. 318–327.10.1021/bk-1987-0355.ch028Search in Google Scholar

9. Kemmitt, G. M., Deboer, G., Ouimette, D., Iamauti, M. Systemic properties of myclobutanil in soybean plants, affecting control of Asian soybean rust (Phakopsora pachyrhizi). Pest Manag. Sci. 2008, 64, 1285–1293.10.1002/ps.1630Search in Google Scholar PubMed

10. Li, J., Xi, T., Yan, B., Yang, M.-Y., Ma, H.-X., Song, J.-R. Crystal structure and antifungal activities of a new Zn(II) complex based on triadimenol. Chin. J. Struct. Chem. 2015, 34, 1825–1829.Search in Google Scholar

11. Ren, G.-Y., Li, J., Zhou, J.-H., Yan, B., Ren, Y.-H., Sun, X.-H., Ma, H.-X. Enhanced antifungal activities of four Zn(II) complexes based on uniconazole. Appl. Organomet. Chem. 2018, 32, e4169.10.1002/aoc.4169Search in Google Scholar

12. Ren, G.-Y., Li, J., Wei, X.-Z., Zhou, J.-H., Yan, B., Guo, Z.-Q., Ren, Y.-H., Sun, X.-H., Ma, H.-X. The enhanced biological activities of three Zn(II) complexes based on different 1,2,4-triazole fungicides. Appl. Organomet. Chem. 2018, 32, e4474.10.1002/aoc.4474Search in Google Scholar

13. Liu, X.-J., Liu, E., Jin, Z.-S., Li, Z.-Y., Jian, F.-F., Liang, T.-L. Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N) zinc(II), C24H34N6Cl2Zn. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 379–381.10.1515/ncrs-2020-0535Search in Google Scholar

14. Adeleke, A. A., Zamisa, S. J., Omondi, B. Crystal structure of dichlorido-bis((E)-2-((pyridin-4-ylmethylene)amino)phenol)zinc(II), C24H20Cl2N4O2Zn. Z. Kristallogr. N. Cryst. Struct. 2020, 235, 625–628.10.1515/ncrs-2019-0863Search in Google Scholar
Received: 2022-05-01
Accepted: 2022-06-28
Published Online: 2022-07-15
Published in Print: 2022-10-26

© 2022 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 3-(1-(2-((5-methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4-dione, C17H14N2O3S
  4. Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6
  5. Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl
  6. The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C13H9Cl2N3O2
  7. Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3
  8. Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
  9. Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5
  10. Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
  11. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3
  12. Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14
  13. Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
  14. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO
  15. Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2
  16. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5
  17. Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4
  18. The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2
  19. Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)zinc(II), C20H14N6ZnS4
  21. Crystal structure of pentacarbonyl-(μ2-propane-1,3-dithiolato-κ4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ1 P)diiron (Fe-Fe), C27H23Fe2O5PS2
  22. The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6
  23. The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
  24. Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C12H15N7O3
  25. The crystal structure of methyl 4-((3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl) benzoate, C23H28O3
  26. Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ 2 N:N)-(nitrato-κ 2 O:O′) silver(I), C9H8AgN7O3
  27. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8
  28. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni
  29. Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
  30. Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2
  31. The crystal structure of Chrysosplenol D, C18H16O8
  32. Crystal structure of poly[deca aqua-bis(μ 4-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ 5-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C44H42Mn5N12O36
  33. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2
  34. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2
  35. Crystal structure of N 2,N 4-dimesitylpentane-2,4-diamine, C23H34N2
  36. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6
  37. The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C25H30Cl4N6O6
  38. Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3
  39. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3
  40. {2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5
  41. Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2
  42. Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C32H30N4O8
  43. Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2
  44. The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9
  45. Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
  46. The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12
  47. Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4
  48. Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C12H10N2O6
  49. The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C15H13BrO2
  50. Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2
  51. Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)cadmium(II), C60H68O4N12Cl10Cd
  52. Crystal structure of diaqua-diphenanthroline-κ2 N,N′-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-tetrafluorophthalato-κ3 O,O′:O′)didysprosium(III) – phenanthroline (1/2), C80H38Dy2F16N8O18
  53. Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2
  54. Crystal structure of poly[diaqua-(μ2-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ2 O:O′)(μ2-oxalato-κ4O,O:O″,O′″)europium(III)] monohydrate, C9H10N3O9Eu
  55. Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4
  56. Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2
  57. Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2
  58. Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8
https://doi.org/10.1515/ncrs-2022-0226
Creative Commons
BY 4.0

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 3-(1-(2-((5-methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4-dione, C17H14N2O3S
  4. Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6
  5. Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl
  6. The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C13H9Cl2N3O2
  7. Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3
  8. Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
  9. Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5
  10. Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
  11. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3
  12. Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14
  13. Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
  14. Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO
  15. Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2
  16. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5
  17. Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4
  18. The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2
  19. Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)zinc(II), C20H14N6ZnS4
  21. Crystal structure of pentacarbonyl-(μ2-propane-1,3-dithiolato-κ4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ1 P)diiron (Fe-Fe), C27H23Fe2O5PS2
  22. The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6
  23. The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn
  24. Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C12H15N7O3
  25. The crystal structure of methyl 4-((3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl) benzoate, C23H28O3
  26. Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ 2 N:N)-(nitrato-κ 2 O:O′) silver(I), C9H8AgN7O3
  27. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8
  28. The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni
  29. Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
  30. Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2
  31. The crystal structure of Chrysosplenol D, C18H16O8
  32. Crystal structure of poly[deca aqua-bis(μ 4-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ 5-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C44H42Mn5N12O36
  33. Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2
  34. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2
  35. Crystal structure of N 2,N 4-dimesitylpentane-2,4-diamine, C23H34N2
  36. Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6
  37. The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C25H30Cl4N6O6
  38. Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3
  39. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3
  40. {2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5
  41. Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2
  42. Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C32H30N4O8
  43. Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2
  44. The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9
  45. Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
  46. The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12
  47. Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4
  48. Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C12H10N2O6
  49. The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C15H13BrO2
  50. Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2
  51. Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)cadmium(II), C60H68O4N12Cl10Cd
  52. Crystal structure of diaqua-diphenanthroline-κ2 N,N′-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-tetrafluorophthalato-κ3 O,O′:O′)didysprosium(III) – phenanthroline (1/2), C80H38Dy2F16N8O18
  53. Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2
  54. Crystal structure of poly[diaqua-(μ2-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ2 O:O′)(μ2-oxalato-κ4O,O:O″,O′″)europium(III)] monohydrate, C9H10N3O9Eu
  55. Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4
  56. Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2
  57. Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2
  58. Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8
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 9.9.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2022-0226/html
Scroll to top button