Home 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
Article Open Access

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

  • Yu Youzhu ORCID logo EMAIL logo , Wang Hui , Li Leilei , Guo Yuhua , Fu Qianqian and Dai Jingtao
Published/Copyright: August 12, 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

C34H76N4O16Ti4, monoclinic, P21/n (no. 14), a = 10.0452(6) Å, b = 16.9053(8) Å, c = 14.6374(8) Å, β = 108.029(6)°, V = 2363.6(2) Å3, Z = 2, R gt (F) = 0.0678, wR ref (F 2) = 0.2126, T = 293(2) K.

CCDC no.: 2191522

The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Colorless block
Size: 0.22 × 0.19 × 0.17 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.72 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θ max, completeness: 28.3°, >99%
N(hkl)measured, N(hkl)unique, R int: 42,194, 5844, 0.033
Criterion for I obs, N(hkl)gt: I obs > 2σ(I obs), 4680
N(param)refined: 268
Programs: Bruker [1, 2], Shelx [3], Diamond [4]
Table 2:

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

Atom x y z U iso*/U eq
C1 0.7522 (5) 0.8096 (3) 0.6315 (4) 0.0633 (11)
H1A 0.8121 0.8118 0.5908 0.076*
H1B 0.7353 0.7545 0.6426 0.076*
C2 0.8227 (5) 0.8490 (3) 0.7246 (4) 0.0685 (12)
H2A 0.7789 0.8322 0.7719 0.082*
H2B 0.9202 0.8330 0.7471 0.082*
C3 0.9167 (5) 0.9671 (3) 0.5910 (4) 0.0634 (11)
H3A 0.9754 1.0060 0.5732 0.076*
H3B 0.9434 0.9150 0.5753 0.076*
C4 0.9352 (5) 0.9725 (3) 0.6969 (4) 0.0690 (12)
H4A 1.0203 0.9454 0.7332 0.083*
H4B 0.9427 1.0275 0.7169 0.083*
C5 0.7848 (6) 0.9724 (4) 0.7984 (4) 0.0743 (13)
H5A 0.8120 1.0277 0.8038 0.089*
H5B 0.8369 0.9457 0.8572 0.089*
C6 0.6319 (6) 0.9650 (4) 0.7827 (4) 0.0768 (14)
H6A 0.6093 0.9113 0.7959 0.092*
H6B 0.6035 1.0004 0.8254 0.092*
C7 0.3244 (8) 0.8399 (5) 0.6210 (5) 0.100 (2)
H7A 0.3148 0.8945 0.6021 0.151*
H7B 0.4120 0.8323 0.6705 0.151*
H7C 0.2489 0.8253 0.6448 0.151*
C8 0.1849 (7) 0.8193 (4) 0.4692 (5) 0.0878 (15)
H8A 0.1076 0.7922 0.4820 0.105*
H8B 0.1738 0.8756 0.4778 0.105*
C9 0.1801 (5) 0.8049 (3) 0.3729 (4) 0.0666 (12)
H9A 0.1462 0.7515 0.3554 0.080*
H9B 0.1140 0.8412 0.3311 0.080*
C10 0.3233 (8) 0.7076 (4) 0.5518 (6) 0.0997 (17)
H10A 0.2534 0.6838 0.4975 0.120*
H10B 0.3000 0.6944 0.6095 0.120*
C11 0.4647 (6) 0.6745 (3) 0.5590 (5) 0.0754 (14)
H11A 0.5286 0.6835 0.6230 0.090*
H11B 0.4577 0.6179 0.5476 0.090*
C12 0.5563 (7) 0.8344 (5) 0.2160 (4) 0.094 (2)
H12A 0.5805 0.8660 0.1689 0.141*
H12B 0.4582 0.8400 0.2077 0.141*
H12C 0.5773 0.7799 0.2081 0.141*
C13 0.7905 (6) 0.8571 (5) 0.3361 (5) 0.101 (2)
H13A 0.8182 0.8033 0.3310 0.151*
H13B 0.8336 0.8757 0.4005 0.151*
H13C 0.8198 0.8896 0.2921 0.151*
C14 0.6376 (5) 0.8611 (4) 0.3129 (4) 0.0683 (13)
H14 0.6145 0.9171 0.3167 0.082*
C15 0.8642 (14) 0.6465 (8) 0.4449 (11) 0.191 (5)
H15A 0.9139 0.6564 0.5112 0.287*
H15B 0.8210 0.6946 0.4150 0.287*
H15C 0.9284 0.6278 0.4129 0.287*
C16 0.7642 (8) 0.5911 (5) 0.4384 (9) 0.134 (3)
H16 0.7661 0.5845 0.5054 0.161*
C17 0.7947 (12) 0.5112 (7) 0.4115 (11) 0.188 (5)
H17A 0.8841 0.5110 0.4004 0.282*
H17B 0.7234 0.4953 0.3540 0.282*
H17C 0.7967 0.4750 0.4625 0.282*
N1 0.3205 (4) 0.7919 (2) 0.5400 (3) 0.0515 (8)
N2 0.8144 (4) 0.9360 (2) 0.7153 (2) 0.0505 (8)
O1 0.5621 (3) 0.98428 (17) 0.68766 (19) 0.0504 (7)
O2 0.6237 (3) 0.84771 (15) 0.58526 (18) 0.0423 (6)
O3 0.4601 (2) 0.93255 (13) 0.47719 (17) 0.0369 (5)
O4 0.7749 (3) 0.98163 (17) 0.5407 (2) 0.0477 (6)
O5 0.5158 (3) 0.71102 (16) 0.4913 (2) 0.0547 (7)
O6 0.3088 (3) 0.81345 (17) 0.3580 (2) 0.0511 (7)
O7 0.5930 (3) 0.8220 (2) 0.3820 (2) 0.0578 (8)
O8 0.6369 (8) 0.6109 (7) 0.3958 (8) 0.281 (8)
H8 0.6180 0.6511 0.4206 0.422*
Ti1 0.61988 (6) 0.96734 (3) 0.58157 (4) 0.03438 (19)
Ti2 0.48102 (6) 0.81880 (4) 0.45464 (5) 0.03656 (19)

Source of material

All reagents and solvents employed in this work were commercially obtained and directly used without any purification.

Ti(OiPr)4 (6 mmol, 1.84 mL) was added with stirring to a mixture of N-methyldiethanolamine (H2MDEOA) (6.10 mmol, 0.70 mL) and triethanolamine (H3TEOA) (2.26 mmol, 0.30 mL). After 10 min, the resulting mixture was sealed in a Teflon-lined stainless vessel (15 mL) and heated at 353 K for 4 days under autogenous pressure. After cooling to room temperature, the above vessel was then further left at 273 K for 24 h, colorless block crystals were isolated and dried in air. Yield: 0.234 g (21%, based on triethanolamine).

Experimental details

All the non-H atoms were refined anisotropically. H atoms were subsequently treated as riding atoms with distances C–H = 0.96 (CH3), 0.97 (CH2) and 0.82 (OH) Å.

Comment

Titanium dioxide (TiO2) material is of significant importance which is widely investigated in photocatalysis field due to its high stability, negligible toxicity, and cheap cost [5]. The large band gap value (ca. 3.20 eV) of TiO2 greatly limited its applications because it can only absorb the ultraviolet region of solar radiation [6]. Doping TiO2 materials with nitrogen has been proved an effective approach to regulate their band gaps and strengthen efficiencies for their photocatalytic applications [7]. However, the imprecise and inhomogeneous characteristics of these nitrogen-doped TiO2 (N-TiO2) materials make it difficult to illustrate photocatalytic mechanisms clearly. To solve the above problem, nitrogen-doped titanium oxo clusters (N-TOCs) with accurate atomic structures have been used as the structure and reactivity models of N-TiO2 materials, which have attracted considerable attentions in the recent years [8, 9]. On the other hand, most N-TOCs characterized with N–Ti bond showed good photocatalytic performance such as photocatalytic degradation and H2 evolution [10, 11]. It is very necessary to enlarge the numbers and structure diversities of N-TOCs not only for investigation N-TiO2 materials but also for their future potential applications.

The flexibility of a ligand is critical for construction of a metal oxo compound. Flexible ligands are prone to construct clusters with unexpected structures because they can adopt a variety of conformations by freely rotation to meet the different coordination geometry of metal ions. H2MDEOA and H3TEOA belong to the flexible class of ligands and have been widely used for construction metal oxo clusters including N-TOCs [12], [13], [14], [15]. Combined utilization of H2MDEOA and H3TEOA to synthesize N-TOCs is desirable but rarely reported.

The title complex formulated as [Ti4(μ 3-O)2(MDEOA)2 (TEOA)2 (OiPr)2] ⋅ 2iPrOH belongs to the monoclinic system and the space group is P21/n. In the crystal structure, there are two Ti4+ ions, one μ 3-O, one MDEOA, one TEOA and one isopropoxide groups (the figure), and as well one solvent of iPrOH was observed in the asymmetric unit of the structrue. By an inversion center the tetranuclear target complex is generated (see the figure). All the Ti4+ ions show octahedral TiO5N coordination environments which were connected by two μ 3-O atoms and two μ 2-O atoms from ligands TEOA to generate the Ti4 core via edge-sharing mode. Intrestingly, the four Ti4+ ions are located in the same plane. Both the two MDEOA ligands adopt μ 1–η 1:η 1:η 1 coordination mode, while the two TEOA present μ 2–η 1:η 1:η 1:η 2 mode. The average bond lengths of Ti–N and Ti–μ 3-O are 2.3645 and 1.954 Å, respectively, corresponding to those in the literature [13], [14], [15].

Corresponding author: Yu Youzhu, School of Chemical and Environmental Engineering, Anyang Institute of Technology, Anyang 455000, Henan, P. R. China, E-mail:

Funding source: Anyang Institute of Technology

Award Identifier / Grant number: YPY2019003

Acknowledgments

This work was supported by the Foundation of Anyang Institute of Technology (YPY2019003).

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

  2. Research funding: Foundation of Anyang Institute of Technology (YPY2019003).

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

References

1. Bruker. Apex2; Bruker AXS Inc.: Madison, Wisconsin, USA, 2005.Search in Google Scholar

2. Bruker. Saint-Plus; Bruker AXS Inc.: Madison, Wisconsin, USA, 2001.Search in Google Scholar

3. Sheldrick, G. M. A short history of SHELX. Acta Crystallogr. 2008, A64, 112–122; https://doi.org/10.1107/s0108767307043930.Search in Google Scholar PubMed

4. Brandenburg, K. Diamond. Visual Crystal Structure Information System. Version 3.2i; Crystal Impact: Bonn, Germany, 2012.Search in Google Scholar

5. Chen, X., Mao, S. S. Titanium dioxide nanomaterials: synthesis, properties, modifications, and applications. Chem. Rev. 2007, 107, 2891–2959; https://doi.org/10.1021/cr0500535.Search in Google Scholar PubMed

6. Xu, X., Randorn, C., Efstathiou, P., Irvine, J. T. A red metallic oxide photocatalyst. Nat. Mater. 2012, 11, 595–598; https://doi.org/10.1038/nmat3312.Search in Google Scholar PubMed

7. Wu, M.-C., Hiltunen, J., Sápi, A. S., Avila, A., Larsson, W., Liao, H.-C., Huuhtanen, M., Tóth, G. z., Shchukarev, A., Laufer, N., Kukovecz, Á., Kónya, Z., Mikkola, J.-P., Keiski, R., Su, W.-F., Chen, Y.-F., Jantunen, H., Ajayan, P. M., Vajtai, R., Kordás, K. Nitrogen-doped anatase nanofibers decorated with noble metal nanoparticles for photocatalytic production of hydrogen. ACS Nano 2011, 5, 5025–5030; https://doi.org/10.1021/nn201111j.Search in Google Scholar PubMed

8. Guo, Y.-H. Yu Y.-Z., Niu, Y.-S., Wang, Z., Shi, W.-Y., Wu, X.-L. Solvothermal synthesis, crystal structure and photocurrent property of a Ti6-core-based titanium oxo cluster. Chin. J. Struct. Chem. 2021, 40, 357–362.Search in Google Scholar

9. Yu, Y.-Z., Zhang, Y.-R., Geng, C.-H., Sun, L., Guo, Y., Feng, Y.-R., Wang, Y.-X., Zhang, X.-M. Precise and wide-ranged band-gap tuning of Ti6-core-based titanium oxo clusters by the type and number of chromophore ligands. Inorg. Chem. 2019, 58, 16785–16791; https://doi.org/10.1021/acs.inorgchem.9b02951.Search in Google Scholar PubMed

10. Narayanam, N., Chintakrinda, K., Fang, W. H., Kang, Y., Zhang, L., Zhang, J. Azole functionalized polyoxo-titanium clusters with sunlight-driven dye degradation applications: synthesis, structure, and photocatalytic studies. Inorg. Chem. 2016, 55, 10294–10301; https://doi.org/10.1021/acs.inorgchem.6b01551.Search in Google Scholar PubMed

11. Fan, X., Wang, J., Wu, K., Zhang, L., Zhang, J. Isomerism in titanium-oxo clusters: molecular anatase model with atomic structure and improved photocatalytic activity. Angew. Chem. Int. Ed. 2019, 131, 1334–1337; https://doi.org/10.1002/ange.201809961.Search in Google Scholar

12. Yu, Y. Z., Guo, Y. H., Zhang, Y. R., Tian, X. J., Zhang, X. M. Tetrahedral μ4-chloride and in situ generated octahedral μ6-sulfide templating Co8 complexes with different distortions of the cube. Chem. Commun. 2020, 56, 4236–4239; https://doi.org/10.1039/d0cc01320j.Search in Google Scholar PubMed

13. Spijksma, G. I., Bouwmeester, H. J. M., Blank, D. H. A., Kessler, V. G. Molecular design approach to a stable heterometallic zirconium-titanium alkoxide-potential precursor of mixed-oxide ceramics. Inorg. Chem. Commun. 2004, 7, 953–955; https://doi.org/10.1016/j.inoche.2004.06.006.Search in Google Scholar

14. Liu, X.-X., Chen, S., Fang, W.-H., Zhang, L., Zhang, J. Amino-polyalcohol-solvothermal synthesis of titanium-oxo clusters: from Ti6 to Ti19 with structural diversity. Inorg. Chem. 2019, 58, 7267–7273; https://doi.org/10.1021/acs.inorgchem.9b00293.Search in Google Scholar PubMed

15. Sudhakar, P., Amburose, C. V., Sundararajan, G., Nethaji, M. A new class of mono- and tetra-nuclear titanatranes: synthesis, structure, and ethylene polymerization studies. Role of single-sited active species? Organometallics 2004, 23, 4462–4467; https://doi.org/10.1021/om034408r.Search in Google Scholar
Received: 2022-06-22
Accepted: 2022-07-20
Published Online: 2022-08-12
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-2022-0325
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 10.11.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2022-0325/html?lang=en
Scroll to top button