Startseite Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10
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Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10

  • Ya-Ping Zhang ORCID logo , Lu-Yu Pu und De-Mei Sun ORCID logo EMAIL logo
Veröffentlicht/Copyright: 29. August 2022
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 237 Heft 6

Abstract

C13H14FeN4O10, orthorhombic, Pcca (no. 54), a = 13.2154(4) Å, b = 16.9075(6) Å, c = 13.9347(5) Å, V = 3113.56(18) Å3, Z = 8, R gt (F) = 0.0362, wR ref (F 2) = 0.0971, T = 293(2) K.

CCDC no.: 2183998

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: Yellow block
Size: 0.13 × 0.10 × 0.06 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 1.04 mm−1
Diffractometer, scan mode: Bruker D8 VENTURE PHOTON, φ and ω
θ max, completeness: 26.0°, >99%
N(hkl)measured, N(hkl)unique, R int: 22,485, 3041, 0.033
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 2355
N(param)refined: 265
Programs: SHELX [1], Bruker [2, 3]
Table 2:

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

Atom x y z U iso ∗/U eq
Fe1 0.13185 (3) 0.24519 (2) 0.12381 (2) 0.02320 (13)
N1 0.12635 (14) 0.04766 (11) −0.08035 (14) 0.0246 (4)
H1A 0.125924 0.022763 −0.134164 0.030∗
N2 0.12840 (13) 0.14580 (11) 0.02323 (13) 0.0224 (4)
N3 0.13502 (14) 0.35468 (11) 0.04824 (13) 0.0251 (4)
N4 0.13244 (14) 0.46052 (11) −0.04216 (14) 0.0271 (4)
H4A 0.133159 0.489933 −0.092505 0.032∗
O1 0.12660 (14) −0.11571 (10) −0.04958 (14) 0.0400 (5)
O2 0.12081 (14) −0.09939 (10) 0.10829 (13) 0.0351 (4)
H2 0.122117 −0.061955 0.145676 0.053∗
O3 0.12562 (14) 0.01089 (10) 0.22347 (12) 0.0380 (4)
O4 0.13789 (13) 0.14233 (10) 0.21872 (11) 0.0341 (4)
O5 0.12332 (12) 0.33548 (9) 0.23887 (11) 0.0287 (4)
O6 0.11966 (15) 0.46548 (10) 0.26708 (12) 0.0404 (5)
O7 0.10759 (19) 0.58836 (11) 0.16595 (14) 0.0521 (6)
H7 0.107391 0.547489 0.197626 0.078∗
O8 0.12452 (14) 0.62210 (10) 0.01443 (14) 0.0412 (5)
O9 0.29190 (14) 0.24693 (9) 0.12551 (12) 0.0339 (4)
H1W 0.327456 0.206409 0.112567 0.041∗
H2W 0.323596 0.284379 0.098087 0.041∗
O10 −0.02531 (14) 0.24544 (9) 0.12230 (12) 0.0335 (4)
H3W −0.066486 0.208300 0.109436 0.040∗
H4W −0.065066 0.275069 0.154005 0.040∗
C1 0.12416 (16) −0.07330 (13) 0.02096 (18) 0.0259 (5)
C2 0.12572 (16) 0.01357 (13) 0.00914 (16) 0.0219 (5)
C3 0.12725 (16) 0.07533 (12) 0.07218 (16) 0.0220 (5)
C4 0.13007 (18) 0.07743 (13) 0.17885 (16) 0.0267 (5)
C5 0.12776 (17) 0.12718 (13) −0.06924 (17) 0.0256 (5)
C6a 0.1267 (3) 0.18222 (16) −0.1535 (2) 0.0481 (8)
H6Aa 0.088829 0.157377 −0.204926 0.058∗
H6Ba 0.195709 0.188964 −0.175745 0.058∗
C7a 0.0816 (3) 0.2639 (2) −0.1350 (3) 0.0371 (11)
H7Aa 0.036551 0.277150 −0.187580 0.044∗
H7Ba 0.041270 0.261730 −0.076875 0.044∗
C8a 0.1587 (3) 0.32854 (19) −0.1247 (2) 0.0608 (10)
H8Aa 0.225183 0.304877 −0.118251 0.073∗
H8Ba 0.158742 0.360280 −0.182690 0.073∗
C6′b 0.1267 (3) 0.18222 (16) −0.1535 (2) 0.0481 (8)
H6′Ab 0.057813 0.198329 −0.167440 0.058∗
H6′Bb 0.153733 0.155636 −0.209586 0.058∗
C7′b 0.1945 (6) 0.2586 (4) −0.1286 (5) 0.024 (2)
H7′Ab 0.225653 0.248365 −0.066840 0.029∗
H7′Bb 0.248872 0.259761 −0.175338 0.029∗
C8′b 0.1587 (3) 0.32854 (19) −0.1247 (2) 0.0608 (10)
H8′Ab 0.093782 0.325133 −0.156978 0.073∗
H8′Bb 0.201828 0.359292 −0.166870 0.073∗
C9 0.14002 (19) 0.38105 (13) −0.04095 (17) 0.0291 (6)
C10 0.12213 (17) 0.40650 (13) 0.21259 (16) 0.0242 (5)
C11 0.12525 (17) 0.41957 (13) 0.10613 (16) 0.0225 (5)
C12 0.12337 (16) 0.48652 (13) 0.05101 (16) 0.0235 (5)
C13 0.11827 (18) 0.57099 (14) 0.07461 (19) 0.0301 (6)

  1. aOccupancy: 0.687(6), bOccupancy: 0.313(6).

Source of material

The reagents and solvents used in this work were purchased from commercial sources and used without further purification. An aqueous solution (2 mL) of FeSO4·7H2O (0.05 mmol) was added dropwise to an aqueous solution (2 mL) of 2,2′-(propane-1,3-diyl)bis(1H-imidazole-4,5-dicarboxylic acid (0.05 mmol, H6pbidc), resulting in a clear solution. The mixture was then placed in a 25 mL Teflon-lined stainless steel reactor, which was sealed and heated to 413 K for 72 h. After the mixture was cooled to room temperature at a rate of 5 K h−1, yellow crystals of the title compound were obtained (yield 35%, based on Fe).

Experimental details

The propyl group was modelled by splitting it into two parts (C6–C8 and C6′–C8′), the site-occupation factors of which refined in a ratio of 0.688(6): 0.312(6). Hydrogen atoms on carbon and nitrogen atoms were positioned geometrically and refined as riding atoms, with C–H = 0.97 Å and N–H = 0.82 Å. H atoms of the carboxylic acid groups of H4pbidc2− were refined as riding atoms, with O–H = 0.82 Å. The H atoms of the water molecules were located in a difference Fourier map and the O–H distance was constrained to 0.85 Å. All H atoms were refined with U iso(H) = 1.2 U eq(C, N, O) except for U iso(H) = 1.5 U eq(O) for H atoms of the carboxylic acid.

Comment

The 1H-imidazole-4,5-dicarboxylic acid and its 2-substituted analogues have attracted much attention in the construction of coordination compounds (CPs) and have been proven to be excellent building blocks for assembling CPs with different structures and useful properties [4], [5], [6], [7]. This is because this kind of ligands contain N-atom as well as O-atoms as potential donors, and can be partially or fully deprotonated to generate different anionic ligands at different pH values. Thus, a large number of CPs have been constructed from these kinds of ligands [8], [9], [10], [11], [12]. Among them, 2,2′-(propane-1,3-diyl)bis(1H-imidazole-4,5-dicarboxylic acid (H6pbidc) and the corresponding deprotonated anions are excellent ligands [8, 13].

The asymmetric unit of the title structure contains one Fe(II) ion, one 2,2′-(propane-1,3-diyl)bis(1H-imidazole-4,5-dicarboxylate (H4pbidc2−) anion and two water molecules. The Fe1 ion is six-coordinated by two N atoms (N2, N3) and two O atoms (O4, O5) from the tetradentate H4pbidc2− anion and by two water ligands (O9, O10), featuring a distorted FeN2O4 octahedral environment. The Fe–N bond lengths of 2.1301(19) and 2.1887(19) Å and the Fe–O bond lengths of 2.0770(19), 2.1154(19), 2.1864(16) and 2.2166(16) Å are close to those reported in other Fe(II) CPs [14, 15]. The two imidazole rings are nearly co-planar, with a dihedral angle between the two least-square planes N1/C2/C3/N2/C5 and C9/N3/C11/C12/N4 of 6.44(2)°. The dihedral angles between the mean plane defined by the imidazole ring N1/C2/C3/N2/C5 and the planes of the carboxylate groups are 2.26(1)° and 3.99(3)°, respectively. The dihedral angles between the mean plane defined by the imidazole ring C9/N3/C11/C12/N4 and the planes of the carboxylate groups are 2.24(8) and 4.01(6)°, respectively. Intramolecular O–H···O hydrogen bonds between carboxyl and carboxylate groups stabilize the molecular configuration. In addition, there are two kinds of intermolecular N–H···O hydrogen bonds and four kinds of intermolecular O–H···O hydrogen bonds involving imidazole rings, carboxylate groups and coordinated water molecules of adjacent molecules. Adjacent molecules are connected by these hydrogen bonds, resulting in a three-dimensional architecture.

Corresponding author: De-Mei Sun, Pharmacy College, Henan University of Chinese Medicine, 450046, Zhengzhou, Henan, P. R. China, E-mail:

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

  2. Research funding: None declared.

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

References

1. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8; https://doi.org/10.1107/s2053229614024218.Suche in Google Scholar

2. Bruker. SADABS; Bruker AXS Inc.: Madison, WI, 2000.Suche in Google Scholar

3. Bruker. APEX3 and Saint; Bruker AXS Inc.: Madison, WI, 2016.Suche in Google Scholar

4. Das, S., Karmakar, S., Saha, D., Baitalik, S. A combined experimental and DFT/TD–DFT investigation of structural, electronic, and cation-induced switching of photophysical properties of bimetallic Ru(II) and Os(II) complexes derived from imidazole-4,5-dicarboxylic acid and 2,2′-bipyridine. Inorg. Chem. 2013, 52, 6860–6879; https://doi.org/10.1021/ic302566p.Suche in Google Scholar PubMed

5. Liu, X., Meng, X.-R. Crystal structure of [diaqua[2,2′-(1,2-phenylene) bis(1H-imidazole-4-carboxylato-5-carboxy)-k4N,N′,O,O′]nickel(II)] tetrahydrate, C16H12N4NiO10···4H2O. Z. Kristallogr. N. Cryst. Struct 2022, 237, 249–251; https://doi.org/10.1515/ncrs-2021-0463.Suche in Google Scholar

6. Xie, W., Li, R., Wang, C.-Q. Crystal structure of catena-poly[triqua-bis(μ2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3N,O:O′)barium(II)]tetrahydrate, C14H14BaN12O15. Z. Kristallogr. N. Cryst. Struct. 2021, 236, 227–229; https://doi.org/10.1515/ncrs-2020-0487.Suche in Google Scholar

7. Guo, X.-Y., Chen, J.-H., Meng, X.-R. Crystal structure of catena-poly[aqua[(μ2-4,5-dicarboxylato-2-(2-carboxylphenyl)imidazole-1-ido-k4N,O,O′:N′)](μ24,4′-bipyridine-k2N: N′)dicopper(II)], C22H14Cu2N4O7. Z. Kristallogr. N. Cryst. Struct. 2020, 235, 771–773; https://doi.org/10.1515/ncrs-2019-0887.Suche in Google Scholar

8. Li, X.-F., Ma, L.-G., Yang, Y.-Q., Liu, Y.-J., Meng, X.-R., Yang, H.-X. Synthesis, crystal structure and bovine serum albumin-binding studies of a new Cd(II) complex incorporating 2,2′-(propane-1,3-diyl) bis(1H-imidazole-4,5-dicarboxylate). J. Chem. Res. 2020, 44, 198–205; https://doi.org/10.1177/1747519819895240.Suche in Google Scholar

9. Li, X.-F., Yang, Y.-Q., Li, Y.-X., Yang, H.-X., Zhao, W.-F., Meng, X.-R. Synthesis, crystal structure, and BSA binding studies of new Co(II) and Ni(II) complexes of 2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylate. Inorg. Chem. Acta 2020, 505, 119469; https://doi.org/10.1016/j.ica.2020.119469.Suche in Google Scholar

10. Liu, Y.-J., Cheng, D., Li, Y.-X., Zhang, J.-D., Yang, H.-X. A new one-dimensional CdII coordination polymer incorporating 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate). Acta Crystallogr. 2018, C74, 1128–1132; https://doi.org/10.1107/s2053229618012603.Suche in Google Scholar PubMed

11. Jayaramulu, K., Reddy, S. K., Hazra, A., Balasubramanian, S., Maji, T. K. Three-dimensional metal-organic framework with highly polar pore surface: H2 and CO2 storage characteristics. Inorg. Chem. 2012, 51, 7103–7111; https://doi.org/10.1021/ic202601y.Suche in Google Scholar PubMed

12. Guo, X.-Y., Zhang, J.-D., Li, Y.-Y., Li, X.-J., Meng, X.-R. Synthesis, structure, and BSA binding studies of a new Co(II) complex based on 2-(1H-tetrazol-1-methyl)-1H-imidazole-4,5-dicarboxylic acid. Inorg. Chem. Commun. 2020, 119, 108055; https://doi.org/10.1016/j.inoche.2020.108055.Suche in Google Scholar

13. Li, X.-F., Ma, L.-G., Guo, W.-F., Zhao, W.-F. Crystal structure of diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4O,O′,N,N′)]zinc(II) dihydrate, C13H18N4O12Zn. Z. Kristallogr. N. Cryst. Struct. 2019, 234, 1203–1205; https://doi.org/10.1515/ncrs-2019-0327.Suche in Google Scholar

14. Guo, J.-L., Liu, G.-Y., Wang, R.-Y., Sun, S.-X. Synthesis and structure elucidation of two essential metal complexes: in-vitro studies of their BSA/HSA-binding properties, docking simulations, and anticancer activities. Molecules 2022, 27, 1886; https://doi.org/10.3390/molecules27061886.Suche in Google Scholar PubMed PubMed Central

15. Mu, B., Li, Q., Lv, L., Yang, D.-D., Wang, Q., Huang, R.-D. Assembly and property research on seven 0D-3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethane. J. Solid State Chem. 2015, 226, 1–10; https://doi.org/10.1016/j.jssc.2015.01.032.Suche in Google Scholar
Received: 2022-06-14
Accepted: 2022-07-05
Published Online: 2022-08-29
Published in Print: 2022-12-16

© 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. The crystal structure of 1,5-bis(4-chlorophenyl)-3-(3-methylphenyl)pentane- 1,5-dione, C48H40Cl4O4
  4. Crystal structure of (bis(1,10-phenanthroline-κ 2 N,N′))-(3,5-dinitrosalicylato-κ 2 O,O′)nickel(II), C31H18N6NiO7
  5. Crystal structure of {N,N′-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane-κ4 O,N,N′,O′}zinc(II), C20H20F2N2O4Zn
  6. [5-Bromo-2-(2-(dimethylamino)ethyliminomethyl)phenolato-κ3 N,N′,O]-isothiocyanato-nickel(II), C12H14BrN3NiOS
  7. Crystal structure of 9-bromo-4-(6-methoxypyridin-2-yl)-5,6-dihydrobenzo[h]quinazolin- 2-amine, C18H15BrN4O
  8. The crystal structure of imidazolium nitrate, C3H5O3N3
  9. Crystal structure of diiodido-bis(6,6′-dimethoxy-2,2′-(ethane-1,2-diylbis(nitrilomethanylylidene)) diphenolato)tricadmium(II), C36H36Cd3I2N4O8
  10. Crystal structure of [diaqua-bis(2-((1H-tetrazol-1-yl)methyl)-5-carboxy-1H-imidazole-4-carboxylato-κ2 N,O) manganese(II)] dihydrate, C14H18MnN12O12
  11. Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10
  12. Crystal structure of poly[dimethanol-κ1O-(µ2-(E)-2-((2-oxidobenzylidene)amino)acetato)-(µ3-(E)-2-((2-oxidobenzylidene)amino)acetato)dicadmium(II)], C20H22Cd2N2O8
  13. Crystal structure of N 2,N 6-bis(2-(((E)-quinolin-8-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C39H27N7O2
  14. An I 6 2 − anion in the crystal structure of theophyllinium triiodide monohydrate, C7H11I3N4O3
  15. The crystal structure of poly[6,6′-oxybis(4-(pyridin-1-ium-1-yl)-1,3,5,2,4,6-trioxatriborinan-2-olate)], [B6O9](C5H5N)2
  16. The crystal structure of (carbonato κ2 O,O′)(2-oxopyridin-1(2H)-olato-κN)tris(trimethylphosphine)rhodium(III) water solvate, C15H33NO5P3Rh
  17. The crystal structure of dibromido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Br2Cl2N8Zn
  18. Synthesis and crystal structure of 3-(((7-hydroxy-3-(4-hydroxy-3,5-dinitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)(nitroso)amino)propanoic acid, C19H14N4O11
  19. The crystal structure of 3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate, C18H20ClNO5S
  20. Crystal structure of di([1,1′:3′,1″-terphenyl]-2′-yl)tellane, C36H26Te
  21. The crystal structure of diaqua-bis(pyrazolo[1,5-a]-pyrimidine-3-carboxylato-κ2 N,O)zinc(II), C14H12N6O6Zn
  22. Crystal structure of N′,N‴-((1E,2E)-1,2-diphenylethane-1,2-diylidene)bis(4-methylbenzohydrazide) – water – methanol (1/1/1), C31H32N4O4
  23. Crystal structure of 3-((2,4-dichlorobenzyl)thio)-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo [4,3-c]pyrimidine, C14H9Cl2F3N4S
  24. Crystal structure of 3,5,6,7-tetramethoxy-3′,4′-methylenedioxy-flavone, C20H18O8
  25. Crystal structure of catena-poly[(5,5′-dimethyl-2,2′-bipyridine-κ 2 N,N′)-(μ 3-hydrogen-1,1′,1″-(1,3,5-triazine-2,4,6-triyl)tris(piperidine-4-carboxylato)- κ 5 O:O,O′:O″,O‴)-cadmium(II)], C33H40CdN8O6
  26. The crystal structure of 3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C9H17N3
  27. Crystal structure of [(1,4,7,10-tetraoxacyclododecane-κ 4 O,O′,O″, O‴)-tris(nitrato-κ 2 O,O′)gadolinium(III)], C8H16N3O13Gd
  28. The crystal structure of 2,2′-((pyridine-2,6-diylbis(methylene))bis(sulfanediyl))-bis(4,5-dihydro-1H-imidazol-3-ium) bromide, C13H19Br2N5S2
  29. Crystal structure of E-2-chloro-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)benzohydrazide, C16H14Cl2N2O2
  30. Crystal structure of 3-(adamantan-1-yl)-4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, C20H24N4O2S
  31. The crystal structure of dimethanol-κ1O-(5,10,15,20-tetrakis(4-nitrophenyl)porphyrin-21,23-diido-κ4 O,O′,O″,O′″)manganese(III) trans-dicyanido-κ1C-bis(acetylacetonato-κ2 O,O′)ruthenium(III), C58H46N10O14RuMn
  32. The crystal structure of nitroxyl-κ N-{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl-κN 3)borato}nickel(II), C15H13BF9N7NiO
  33. The crystal structure of [(2,2′-bipyridine-κ2 N,N)-bis(6-phenylpyridine-2-carboxylato- κ2 N,O)nickel(II)] monohydrate, C34H26N4O5Ni
  34. The crystal structure of 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione, C20H15F5N2O3
  35. The crystal structure of ethyl 2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2H)-yl)benzoate, C14H12F3NO3
  36. [2,2′-{Ethane-1,2-diylbis[(azanylylidene)methanylylidene]}bis(3-bromo-2-hydroxyphenyl)]iron(III) nitrate, C20H12Br2CuN2O2
  37. The crystal structure of 1-(2-iodophenyl)-4-phenyl-1H-1,2,3-triazole, C14H10IN3
  38. Synthesis and crystal structure of 2-(2-oxo-2-(thiophen-2-yl)ethyl)-4H-chromen-4-one, C15H10O3S
  39. {6,6′-((1E,1′E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-bromo-4-chlorophenolate)-κ4N,N′,O,O′}copper(II), C19H16Br2Cl2CuN2O2
  40. The crystal structure of N′-[bis(2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide, C19H15N3O3
  41. Crystal structure of 2-chloro-6-formylphenolato-κ2O,O′-(6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-chlorophenolato)κ4 N,N,O,O′)cobalt(III), C26H22Cl3CoN2O4
  42. The crystal structure of tetrakis(6-phenylpyridine-2-carboxylate-κ 2 N,O)-bis(μ2-6-phenylpyridine-2-carboxylate-κ 2 O:O′)-bis(μ2-6-phenylpyridine-2-carboxylate-κ 3N,O:O)tetralead(II) C48H32N4O8Pb2
  43. The crystal structure of 3,7-dihydroxy-9-methoxy-4a-methyl-4aH-benzo[c] chromene-2,6-dione —dichloromethane (1/1), C16H14Cl2O6
  44. The crystal structure of (Z)-6-(((5-chloro-2-hydroxyphenyl)amino)methylene)- 4-nitrocyclohexa, C13H9ClN2O4
  45. 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-κ1 N)zinc(II), C60H68O4N12Cl10Zn
  46. The crystal structure of 4-(2-bromoethoxy)-2-hydroxybenzaldehyde, C9H9BrO3
  47. The crystal structure of 5-azido-1-methyl-4-nitroimidazole, C4H4O2N6
  48. Crystal structure of dibromido-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)zinc(II), C60H68O4N12Br2Cl8Zn
  49. Crystal structure of tetrasodium-bis(μ 2-oxido)-hexafluoro-didioxo-molybdenum(V), Na2(Mo2O4F6)
  50. Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4- hydroxybenzohydrazide-water (1/1), C14H13Cl1N2O4
  51. Crystal structure of (E)-N-(4-morpholinophenyl)-1-(quinolin-2-yl)methanimine, C20H19N3O
  52. The crystal structure of catena-poly[(1,10-phenanthroline-κ2 N,N′)-(μ3-2-hydroxybenzene-1,3-dicarboxylato-κ5 O,O′:O″,O‴:O‴)cadmium(II)], C20H12CdN2O5
  53. The crystal structure of 2,6-di-tert-butyl-4-(4-(methylthio)benzylidene)cyclohexa-2,5-dien-1-one, C22H28OS
  54. La3.65Mg30Sb1.07 as a disordered derivative of Th2Ni17-type structure
  55. Crystal structure of (E)-N-(4-morpholinophenyl)-1-(quinoxalin-2-yl)methanimine, C19H18N4O
  56. The crystal structure of 2,2′-(1,2-phenylenebis(methylene))bis(1,3-dimethylisothiouronium) bromide, C14H24Br2N4S2
  57. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N]zinc(II), C18H20ZnN6O8
  58. Crystal structure of bis(tricarbonyl)-{(S)-(tert-butoxycarbonyl)(1-methoxy-1-oxo-3-sulfido-k2 S:S′-propan-2-yl)amido-k2N:N′}diiron(I) (Fe—Fe), C15H15Fe2NO10S
  59. Crystal structure of (E)-3-((4-chlorophenyl)thio)-4-hydroxypent-3-en-2-one, C11H11ClO2S
  60. The crystal structure of (E)-3′,6′-bis(diethylamino)-2-((5-(diethylamino)-2-hydroxybenzylidene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C39H45N5O3
  61. The crystal structure of 2-(4-methoxynaphthalen-1-yl)-4H-chromen-4-one, C20H14O3
  62. The crystal structure of trans-dichlorido-(ethylenediamine-κ 2 N,N′)-bis(triphenylphosphine-κ 1 P)ruthenium(II), C38H38Cl2N2P2Ru
  63. The double polymeric chain of catena-poly[(μ2-6-bromopyridine-3-carboxylato-κ2 O,O′) (6-bromopyridine-3-carboxylato-κ2 O,O′) (μ2-1,2-bis(4-pyridyl)ethylene-κ2 N:N′)cobalt(II)], C24H16CoBr2N4O4
  64. The crystal structure of tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl)carbamoyl)pyrrolidine-1-carboxylate, C26H31BrN2O3
  65. The crystal structure of (Z)-2-(2,3-dimethoxybenzylidene)naphtho[1,2-b]furan-3(2H)-one, C21H16O4
  66. Crystal structure of 2-hydroxy-1-tosylindolin-3-yl- 2-naphthoate, C26H21N1S1O5
  67. The crystal structure of 1-methyl-N-(1-methyl-1H-imidazole-2-carbonyl)-1H-imidazole-2-carboxamide, C10H11N5O2
  68. The crystal structure of (E)-2-((5-bromo-2-hydroxybenzylidene)amino)-3′,6′-bis(ethylamino)-2′, 7′-dimethylspiro[isoindoline-1,9′-xanthen]-3-one, C33H31BrN4O3
  69. The crystal structure of dimethanol-5,15-diphenylporphyrin-21,23-diido-κ4 N,Nʹ,Nʺ,Nʹʺ-manganese(III) trans-dicyanido-bis(acetylacetonato-κ2O,Oʹ)ruthenium(III), C46H42N6O6RuMn
  70. Crystal structure of 1,4,8,11-tetraazacyclotetradecane-1,8-diium bis(3,5-dicarboxybenzoate), C28H36N4O12
  71. Bifurcated halogen bonds in the crystal structure of 2,2′-bi(1,8-naphthyridine)—1,4-diiodotetrafluorobenzene (1/1), C22H10F4I2N4
https://doi.org/10.1515/ncrs-2022-0298
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 1,5-bis(4-chlorophenyl)-3-(3-methylphenyl)pentane- 1,5-dione, C48H40Cl4O4
  4. Crystal structure of (bis(1,10-phenanthroline-κ 2 N,N′))-(3,5-dinitrosalicylato-κ 2 O,O′)nickel(II), C31H18N6NiO7
  5. Crystal structure of {N,N′-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane-κ4 O,N,N′,O′}zinc(II), C20H20F2N2O4Zn
  6. [5-Bromo-2-(2-(dimethylamino)ethyliminomethyl)phenolato-κ3 N,N′,O]-isothiocyanato-nickel(II), C12H14BrN3NiOS
  7. Crystal structure of 9-bromo-4-(6-methoxypyridin-2-yl)-5,6-dihydrobenzo[h]quinazolin- 2-amine, C18H15BrN4O
  8. The crystal structure of imidazolium nitrate, C3H5O3N3
  9. Crystal structure of diiodido-bis(6,6′-dimethoxy-2,2′-(ethane-1,2-diylbis(nitrilomethanylylidene)) diphenolato)tricadmium(II), C36H36Cd3I2N4O8
  10. Crystal structure of [diaqua-bis(2-((1H-tetrazol-1-yl)methyl)-5-carboxy-1H-imidazole-4-carboxylato-κ2 N,O) manganese(II)] dihydrate, C14H18MnN12O12
  11. Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10
  12. Crystal structure of poly[dimethanol-κ1O-(µ2-(E)-2-((2-oxidobenzylidene)amino)acetato)-(µ3-(E)-2-((2-oxidobenzylidene)amino)acetato)dicadmium(II)], C20H22Cd2N2O8
  13. Crystal structure of N 2,N 6-bis(2-(((E)-quinolin-8-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C39H27N7O2
  14. An I 6 2 − anion in the crystal structure of theophyllinium triiodide monohydrate, C7H11I3N4O3
  15. The crystal structure of poly[6,6′-oxybis(4-(pyridin-1-ium-1-yl)-1,3,5,2,4,6-trioxatriborinan-2-olate)], [B6O9](C5H5N)2
  16. The crystal structure of (carbonato κ2 O,O′)(2-oxopyridin-1(2H)-olato-κN)tris(trimethylphosphine)rhodium(III) water solvate, C15H33NO5P3Rh
  17. The crystal structure of dibromido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Br2Cl2N8Zn
  18. Synthesis and crystal structure of 3-(((7-hydroxy-3-(4-hydroxy-3,5-dinitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)(nitroso)amino)propanoic acid, C19H14N4O11
  19. The crystal structure of 3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate, C18H20ClNO5S
  20. Crystal structure of di([1,1′:3′,1″-terphenyl]-2′-yl)tellane, C36H26Te
  21. The crystal structure of diaqua-bis(pyrazolo[1,5-a]-pyrimidine-3-carboxylato-κ2 N,O)zinc(II), C14H12N6O6Zn
  22. Crystal structure of N′,N‴-((1E,2E)-1,2-diphenylethane-1,2-diylidene)bis(4-methylbenzohydrazide) – water – methanol (1/1/1), C31H32N4O4
  23. Crystal structure of 3-((2,4-dichlorobenzyl)thio)-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo [4,3-c]pyrimidine, C14H9Cl2F3N4S
  24. Crystal structure of 3,5,6,7-tetramethoxy-3′,4′-methylenedioxy-flavone, C20H18O8
  25. Crystal structure of catena-poly[(5,5′-dimethyl-2,2′-bipyridine-κ 2 N,N′)-(μ 3-hydrogen-1,1′,1″-(1,3,5-triazine-2,4,6-triyl)tris(piperidine-4-carboxylato)- κ 5 O:O,O′:O″,O‴)-cadmium(II)], C33H40CdN8O6
  26. The crystal structure of 3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C9H17N3
  27. Crystal structure of [(1,4,7,10-tetraoxacyclododecane-κ 4 O,O′,O″, O‴)-tris(nitrato-κ 2 O,O′)gadolinium(III)], C8H16N3O13Gd
  28. The crystal structure of 2,2′-((pyridine-2,6-diylbis(methylene))bis(sulfanediyl))-bis(4,5-dihydro-1H-imidazol-3-ium) bromide, C13H19Br2N5S2
  29. Crystal structure of E-2-chloro-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)benzohydrazide, C16H14Cl2N2O2
  30. Crystal structure of 3-(adamantan-1-yl)-4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, C20H24N4O2S
  31. The crystal structure of dimethanol-κ1O-(5,10,15,20-tetrakis(4-nitrophenyl)porphyrin-21,23-diido-κ4 O,O′,O″,O′″)manganese(III) trans-dicyanido-κ1C-bis(acetylacetonato-κ2 O,O′)ruthenium(III), C58H46N10O14RuMn
  32. The crystal structure of nitroxyl-κ N-{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl-κN 3)borato}nickel(II), C15H13BF9N7NiO
  33. The crystal structure of [(2,2′-bipyridine-κ2 N,N)-bis(6-phenylpyridine-2-carboxylato- κ2 N,O)nickel(II)] monohydrate, C34H26N4O5Ni
  34. The crystal structure of 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione, C20H15F5N2O3
  35. The crystal structure of ethyl 2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2H)-yl)benzoate, C14H12F3NO3
  36. [2,2′-{Ethane-1,2-diylbis[(azanylylidene)methanylylidene]}bis(3-bromo-2-hydroxyphenyl)]iron(III) nitrate, C20H12Br2CuN2O2
  37. The crystal structure of 1-(2-iodophenyl)-4-phenyl-1H-1,2,3-triazole, C14H10IN3
  38. Synthesis and crystal structure of 2-(2-oxo-2-(thiophen-2-yl)ethyl)-4H-chromen-4-one, C15H10O3S
  39. {6,6′-((1E,1′E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-bromo-4-chlorophenolate)-κ4N,N′,O,O′}copper(II), C19H16Br2Cl2CuN2O2
  40. The crystal structure of N′-[bis(2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide, C19H15N3O3
  41. Crystal structure of 2-chloro-6-formylphenolato-κ2O,O′-(6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-chlorophenolato)κ4 N,N,O,O′)cobalt(III), C26H22Cl3CoN2O4
  42. The crystal structure of tetrakis(6-phenylpyridine-2-carboxylate-κ 2 N,O)-bis(μ2-6-phenylpyridine-2-carboxylate-κ 2 O:O′)-bis(μ2-6-phenylpyridine-2-carboxylate-κ 3N,O:O)tetralead(II) C48H32N4O8Pb2
  43. The crystal structure of 3,7-dihydroxy-9-methoxy-4a-methyl-4aH-benzo[c] chromene-2,6-dione —dichloromethane (1/1), C16H14Cl2O6
  44. The crystal structure of (Z)-6-(((5-chloro-2-hydroxyphenyl)amino)methylene)- 4-nitrocyclohexa, C13H9ClN2O4
  45. 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-κ1 N)zinc(II), C60H68O4N12Cl10Zn
  46. The crystal structure of 4-(2-bromoethoxy)-2-hydroxybenzaldehyde, C9H9BrO3
  47. The crystal structure of 5-azido-1-methyl-4-nitroimidazole, C4H4O2N6
  48. Crystal structure of dibromido-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)zinc(II), C60H68O4N12Br2Cl8Zn
  49. Crystal structure of tetrasodium-bis(μ 2-oxido)-hexafluoro-didioxo-molybdenum(V), Na2(Mo2O4F6)
  50. Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4- hydroxybenzohydrazide-water (1/1), C14H13Cl1N2O4
  51. Crystal structure of (E)-N-(4-morpholinophenyl)-1-(quinolin-2-yl)methanimine, C20H19N3O
  52. The crystal structure of catena-poly[(1,10-phenanthroline-κ2 N,N′)-(μ3-2-hydroxybenzene-1,3-dicarboxylato-κ5 O,O′:O″,O‴:O‴)cadmium(II)], C20H12CdN2O5
  53. The crystal structure of 2,6-di-tert-butyl-4-(4-(methylthio)benzylidene)cyclohexa-2,5-dien-1-one, C22H28OS
  54. La3.65Mg30Sb1.07 as a disordered derivative of Th2Ni17-type structure
  55. Crystal structure of (E)-N-(4-morpholinophenyl)-1-(quinoxalin-2-yl)methanimine, C19H18N4O
  56. The crystal structure of 2,2′-(1,2-phenylenebis(methylene))bis(1,3-dimethylisothiouronium) bromide, C14H24Br2N4S2
  57. Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N]zinc(II), C18H20ZnN6O8
  58. Crystal structure of bis(tricarbonyl)-{(S)-(tert-butoxycarbonyl)(1-methoxy-1-oxo-3-sulfido-k2 S:S′-propan-2-yl)amido-k2N:N′}diiron(I) (Fe—Fe), C15H15Fe2NO10S
  59. Crystal structure of (E)-3-((4-chlorophenyl)thio)-4-hydroxypent-3-en-2-one, C11H11ClO2S
  60. The crystal structure of (E)-3′,6′-bis(diethylamino)-2-((5-(diethylamino)-2-hydroxybenzylidene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C39H45N5O3
  61. The crystal structure of 2-(4-methoxynaphthalen-1-yl)-4H-chromen-4-one, C20H14O3
  62. The crystal structure of trans-dichlorido-(ethylenediamine-κ 2 N,N′)-bis(triphenylphosphine-κ 1 P)ruthenium(II), C38H38Cl2N2P2Ru
  63. The double polymeric chain of catena-poly[(μ2-6-bromopyridine-3-carboxylato-κ2 O,O′) (6-bromopyridine-3-carboxylato-κ2 O,O′) (μ2-1,2-bis(4-pyridyl)ethylene-κ2 N:N′)cobalt(II)], C24H16CoBr2N4O4
  64. The crystal structure of tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl)carbamoyl)pyrrolidine-1-carboxylate, C26H31BrN2O3
  65. The crystal structure of (Z)-2-(2,3-dimethoxybenzylidene)naphtho[1,2-b]furan-3(2H)-one, C21H16O4
  66. Crystal structure of 2-hydroxy-1-tosylindolin-3-yl- 2-naphthoate, C26H21N1S1O5
  67. The crystal structure of 1-methyl-N-(1-methyl-1H-imidazole-2-carbonyl)-1H-imidazole-2-carboxamide, C10H11N5O2
  68. The crystal structure of (E)-2-((5-bromo-2-hydroxybenzylidene)amino)-3′,6′-bis(ethylamino)-2′, 7′-dimethylspiro[isoindoline-1,9′-xanthen]-3-one, C33H31BrN4O3
  69. The crystal structure of dimethanol-5,15-diphenylporphyrin-21,23-diido-κ4 N,Nʹ,Nʺ,Nʹʺ-manganese(III) trans-dicyanido-bis(acetylacetonato-κ2O,Oʹ)ruthenium(III), C46H42N6O6RuMn
  70. Crystal structure of 1,4,8,11-tetraazacyclotetradecane-1,8-diium bis(3,5-dicarboxybenzoate), C28H36N4O12
  71. Bifurcated halogen bonds in the crystal structure of 2,2′-bi(1,8-naphthyridine)—1,4-diiodotetrafluorobenzene (1/1), C22H10F4I2N4
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Heruntergeladen am 8.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2022-0298/html
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