Home Physical Sciences 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
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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

  • Yanjun Zhang ORCID logo EMAIL logo and Mei Li
Published/Copyright: August 11, 2022
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 237 Issue 5

Abstract

C60H68O4N12Cl10Cd, triclinic, P 1 ‾ (no. 2), a = 8.9686(15) Å, b = 13.554(2) Å, c = 15.365(3) Å, α = 92.113(3)°, β = 99.047(3)°, γ = 106.492(3)°, V = 1762.1(5) Å3, Z = 1, Rgt (F) = 0.0436, wRref (F 2) = 0.1130, T = 296(2) K.

CCDC no.: 1541722

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 0.38 × 0.27 × 0.14 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.74 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θ max, completeness: 25.4°, 98%
N(hkl) measured , N(hkl) unique, R int: 9011, 6347, 0.024
Criterion for I obs, N(hkl) gt: I obs > 2 σ(I obs), 5112
N(param) refined: 402
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 −0.1848 (4) 0.0788 (3) 0.6469 (2) 0.0426 (9)
H1 −0.281390 0.033638 0.619901 0.051∗
C2 0.0505 (5) 0.1665 (3) 0.6764 (3) 0.0594 (11)
H2 0.156000 0.194307 0.671532 0.071∗
C3 −0.2730 (4) 0.1417 (3) 0.7790 (2) 0.0350 (8)
C4 −0.3702 (4) 0.0414 (3) 0.8052 (2) 0.0404 (8)
H4 −0.454707 0.055959 0.832026 0.048∗
C5 −0.2809 (5) −0.0133 (3) 0.8728 (2) 0.0581 (11)
C6 −0.1923 (7) 0.0642 (4) 0.9510 (3) 0.0901 (17)
H6A −0.148269 0.029440 0.997029 0.135∗
H6B −0.263750 0.095952 0.972798 0.135∗
H6C −0.108830 0.116321 0.932416 0.135∗
C7 −0.4035 (7) −0.1011 (4) 0.9039 (3) 0.0884 (16)
H7A −0.459655 −0.149940 0.854488 0.133∗
H7B −0.476430 −0.073914 0.929206 0.133∗
H7C −0.351662 −0.134878 0.947616 0.133∗
C8 −0.1655 (6) −0.0578 (4) 0.8316 (3) 0.0823 (15)
H8A −0.078406 −0.002225 0.820726 0.123∗
H8B −0.219174 −0.097468 0.776857 0.123∗
H8C −0.126911 −0.101352 0.871586 0.123∗
C9 −0.2722 (4) 0.2353 (3) 0.8062 (2) 0.0404 (8)
H9 −0.198667 0.290547 0.788161 0.049∗
C10 −0.3782 (4) 0.2606 (3) 0.8631 (2) 0.0388 (8)
C11 −0.3159 (5) 0.3202 (3) 0.9427 (2) 0.0470 (9)
C12 −0.4116 (6) 0.3505 (3) 0.9944 (3) 0.0599 (11)
H12 −0.368273 0.389870 1.048123 0.072∗
C13 −0.5701 (6) 0.3214 (3) 0.9648 (3) 0.0565 (11)
C14 −0.6371 (5) 0.2604 (3) 0.8871 (3) 0.0595 (11)
H14 −0.746127 0.239099 0.868814 0.071∗
C15 −0.5395 (5) 0.2315 (3) 0.8366 (2) 0.0492 (10)
H15 −0.583929 0.191417 0.783347 0.059∗
C16 0.3162 (4) 0.1650 (3) 0.4569 (2) 0.0409 (8)
H16 0.378303 0.130027 0.489499 0.049∗
C17 0.1280 (5) 0.2161 (3) 0.4011 (3) 0.0593 (11)
H17 0.026170 0.221812 0.387796 0.071∗
C18 0.5233 (4) 0.2780 (2) 0.3822 (2) 0.0342 (7)
C19 0.6609 (4) 0.2798 (3) 0.4531 (2) 0.0381 (8)
H19 0.754299 0.292668 0.424703 0.046∗
C20 0.6990 (5) 0.3650 (3) 0.5301 (2) 0.0487 (9)
C21 0.7133 (6) 0.4682 (3) 0.4915 (3) 0.0795 (15)
H21A 0.612887 0.467697 0.458331 0.119∗
H21B 0.790263 0.479713 0.453115 0.119∗
H21C 0.745745 0.522536 0.538499 0.119∗
C22 0.5774 (5) 0.3462 (4) 0.5914 (3) 0.0724 (13)
H22A 0.612394 0.398446 0.640068 0.109∗
H22B 0.565442 0.279467 0.613362 0.109∗
H22C 0.477883 0.348655 0.559251 0.109∗
C23 0.8588 (5) 0.3672 (4) 0.5840 (3) 0.0798 (14)
H23A 0.938021 0.383304 0.547063 0.120∗
H23B 0.852120 0.300768 0.605627 0.120∗
H23C 0.886605 0.418727 0.633012 0.120∗
C24 0.5334 (4) 0.3122 (3) 0.3034 (2) 0.0421 (8)
H24 0.440482 0.312837 0.267037 0.051∗
C25 0.6833 (4) 0.3497 (3) 0.2693 (2) 0.0399 (8)
C26 0.7364 (4) 0.4498 (3) 0.2446 (2) 0.0434 (9)
C27 0.8800 (4) 0.4869 (3) 0.2168 (2) 0.0460 (9)
H27 0.913840 0.554450 0.201569 0.055∗
C28 0.9716 (4) 0.4215 (3) 0.2122 (2) 0.0446 (9)
C29 0.9183 (5) 0.3197 (3) 0.2304 (2) 0.0510 (10)
H29 0.978282 0.274990 0.223835 0.061∗
C30 0.7745 (5) 0.2851 (3) 0.2584 (2) 0.0501 (9)
H30 0.738417 0.216361 0.270221 0.060∗
Cd1 0.000000 0.000000 0.500000 0.03324 (12)
Cl1 −0.24504 (11) 0.01937 (8) 0.38873 (6) 0.0543 (3)
Cl2 −0.11412 (14) 0.35692 (9) 0.98031 (7) 0.0738 (3)
Cl3 −0.68996 (19) 0.35993 (11) 1.02901 (10) 0.1017 (5)
Cl4 0.62325 (14) 0.53375 (9) 0.25159 (8) 0.0729 (4)
Cl5 1.15735 (12) 0.46744 (9) 0.18471 (7) 0.0674 (3)
N1 −0.0523 (3) 0.0953 (2) 0.61522 (18) 0.0450 (7)
N2 −0.1610 (3) 0.1356 (2) 0.72270 (17) 0.0388 (7)
N3 −0.0074 (4) 0.1937 (3) 0.7426 (2) 0.0583 (9)
N4 0.1646 (3) 0.1481 (2) 0.45533 (19) 0.0436 (7)
N5 0.3691 (3) 0.2396 (2) 0.40494 (18) 0.0364 (6)
N6 0.2466 (4) 0.2743 (3) 0.3680 (2) 0.0562 (9)
O1 −0.4439 (3) −0.0306 (2) 0.72917 (17) 0.0512 (7)
H1A −0.529751 −0.022905 0.709118 0.077∗
O2 0.6416 (3) 0.18272 (19) 0.48937 (16) 0.0489 (6)
H2A 0.662272 0.142582 0.455209 0.073∗

Source of material

The (E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2- (1,2,4-triazol-1-yl)pent-1-en-3-ol (0.653 g, 0.200 mmol) was dissolved in propanone (10 mL). Then, cadmium chloride 2.5 hydrate (0.114 g, 0.050 mmol) was added. The reaction mixture was allowed to stir at room temperature for 2 h. Colorless rod-shaped crystals of the title compound were obtained by slow evaporation from propanone. Anal. Calcd. (%) for [Cd(L2)Cl2]. C, 48.43; H, 4.61; N, 11.29; found (%): C, 48.40; H, 4.59; N, 11.35.

Experimental details

Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms, with C–H = 0.96 Å (methyl), Uiso (H) = 1.5 Ueq (C), C–H = 0.98 Å (methine), Uiso (H) = 1.2 Ueq (C), C–H = 0.93 Å (aromatic and alkenyl), Uiso (H) = 1.2 Ueq (C), and O–H = 0.82 Å (hydroxyl), Uiso (H) = 1.5 Ueq (O).

Comment

Pesticides are widely used in agricultural production to control molds, pests, weeds and therefore ensure high quality and high yields of vegetables, fruits and crops all over the world [6, 7]. Triazole fungicides have the advantages of high efficiency, broad spectrum, low toxicity to nontarget organisms, and low resistance [8]. Triazole fungicides which inhibit the biosynthesis of fungal ergosterol, can be used to control fungal diseases, such as powdery mildews, rusts, and many leaf spot fungi on a variety of plants [9, 10].

Diniconazole, systematic name: (E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl) pent-1-en-3-ol is a systemic fungicide showing fungitoxicity to a broad range of fungal species [11]. Its known to inhibit the biosynthesis of ergo sterol in fungal species [12]. The pharmacological and toxicological properties of many drugs are improved when they form metal complexes [13], [14]. In this paper, a new diniconazole Cd(II) complex is described.

The title compound contains a mononuclear complex. The asymmetric unit is half of the title complex. As is shown in the figure, the Cd(II) cation is six-coordinated by two chlorido ligands and four N atoms from four diniconazole ligands in a distorted regular octahedral environment. The Cd–N length (Cd1–N1 = 2.336(3) Å, Cd1–N4 = 2.328(3) Å) and Cd–Cl length (Cd1–Cl1 = 2.646(1) Å), the N1–Cd1–N4, N1–Cd1–N4i, N1–Cd1–Cl1, N4–Cd1–Cl1, N1–Cd1–Cl1i, and N4–Cd1–Cl1i bond angles of 91.58(10)°, 88.42(10)°, 92.48(7)°, 91.01(8)°, 87.52(7)°, and 88.99(8)°, respectively (symmetry code: (i) −x, −y, −z + 1) are all in the expected ranges. The Cd(II) is located on the center of symmetry of the title compound, so each bond angle of N1–Cd1–N1ii, N4–Cd1–N4ii, and Cl1–Cd–Cl1ii is 180°. These are in agreement with closely related Cd(II) complexes reported. The title structure contains hydrogen bonds O1–H1A…Cl1ii (dO1… Cl1 = 3.124(3) Å, 162.0°, symmetry code: (ii) −x − 1, −y, −z + 1) and O2–H2A…Cl1iV (dO2… Cl1 = 3.138(3) Å, 166.3°, symmetry code: (iii) x + 1, y, z) forming a one-dimensional (1D) chain along the a-axis.

Corresponding author: Yanjun Zhang, School of Chemistry and Chemical Engineering, Yulin University, Yulin, Shaanxi, 719000, P. R. China, Phone: +86 912 3891144, E-mail:

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

Award Identifier / Grant number: 20JS158

Funding source: Yulin City Industry–University–Research Cooperation Project

Award Identifier / Grant number: CXY-2020-006-07

  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 Key Laboratory Project Foundation of Shaanxi Provincial Education Department in China (20JS158), Yulin City Industry–University–Research Cooperation Project (CXY-2020-006-07).

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

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Received: 2022-06-14
Accepted: 2022-07-20
Published Online: 2022-08-11
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.

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  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-2022-0322
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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
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