Home Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2O:O′)-bis(pivalato-κ2O,O′)-tetrakis(1,10-phenanthroline-κ2N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22
Article Open Access

Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2O:O′)-bis(pivalato-κ2O,O′)-tetrakis(1,10-phenanthroline-κ2N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22

  • Guo Yuhua , Zhang Junwei , Liang Hao , Fang Yating , Zhuang Najie and Yu Youzhu EMAIL logo
Published/Copyright: October 16, 2018
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 234 Issue 1

Abstract

C102H108Cl4Gd4N8O22, triclinic, P1̅ (no. 2), a = 11.4271(18) Å, b = 12.779(2) Å, c = 20.102(3) Å, α = 76.6197(17)°, β = 86.9059(18)°, γ = 71.4460(18)°, V = 2706.7(8) Å3, Z = 1, Rgt(F) = 0.0350, wRref(F2) = 0.1350, T = 296(2) K.

CCDC no.: 1870691

The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Colorless block
Size:0.20 × 0.20 × 0.20 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:2.59 mm−1
Diffractometer, scan mode:Bruker APEX-II, φ and ω
θmax, completeness:28.2°, >99%
N(hkl)measured, N(hkl)unique, Rint:78962, 13226, 0.035
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 10890
N(param)refined:643
Programs:Bruker [1], [2], SHELX [3], Diamond [4]
Table 2:

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

AtomxyzUiso*/Ueq
Gd11.01386(2)0.60784(2)0.86982(2)0.03253(7)
Gd20.80556(2)0.82433(2)0.68839(2)0.03499(8)
C10.6317(5)1.1127(4)0.6538(3)0.0523(12)
H10.57211.08060.67380.063*
C20.6029(6)1.2302(5)0.6396(3)0.0624(15)
H20.52651.27490.65120.075*
C30.6859(8)1.2780(5)0.6092(4)0.076(2)
H30.66661.35650.59930.092*
C40.8016(7)1.2117(5)0.5921(3)0.0611(15)
C50.8940(9)1.2564(6)0.5584(4)0.081(2)
H50.87771.33450.54590.097*
C61.0074(8)1.1861(7)0.5441(4)0.081(2)
H61.06531.21730.52080.097*
C71.0363(6)1.0661(5)0.5645(3)0.0585(14)
C81.1519(6)0.9913(7)0.5549(4)0.073(2)
H81.21421.01930.53480.087*
C91.1733(6)0.8786(7)0.5748(4)0.0691(17)
H91.24870.82820.56670.083*
C101.0823(5)0.8401(6)0.6070(3)0.0606(14)
H101.10010.76210.62240.073*
C110.9460(5)1.0191(4)0.5978(2)0.0460(11)
C120.8261(5)1.0922(4)0.6100(2)0.0466(11)
C131.2532(6)0.7060(5)0.7800(3)0.0661(16)
H131.19110.77500.77700.079*
C141.3664(8)0.7072(8)0.7475(4)0.087(2)
H141.38100.77510.72760.105*
C151.4526(6)0.6059(7)0.7467(3)0.0698(17)
H151.52600.60370.72390.084*
C161.4317(5)0.5058(6)0.7795(3)0.0561(14)
C171.5189(5)0.3960(7)0.7803(4)0.073(2)
H171.59190.39130.75650.088*
C181.4988(6)0.3021(7)0.8135(4)0.074(2)
H181.55660.23260.81160.089*
C191.3875(5)0.3049(5)0.8532(3)0.0581(15)
C201.3627(7)0.2062(5)0.8926(4)0.0728(19)
H201.41780.13480.89240.087*
C211.2620(7)0.2156(5)0.9295(4)0.0731(19)
H211.24670.15160.95630.088*
C221.1784(6)0.3245(5)0.9273(3)0.0583(14)
H221.10800.33050.95350.070*
C231.2985(4)0.4098(4)0.8535(2)0.0429(10)
C241.3194(4)0.5114(4)0.8148(2)0.0433(10)
C250.5636(4)0.8822(4)0.7874(2)0.0402(9)
C260.4374(5)0.9451(5)0.7922(3)0.0500(12)
C270.3779(5)0.9504(4)0.8530(3)0.0548(13)
H270.29510.99270.85350.066*
C280.4428(5)0.8922(4)0.9134(3)0.0493(12)
C290.5653(5)0.8273(4)0.9125(3)0.0435(11)
H290.60790.78730.95340.052*
C300.6246(4)0.8220(4)0.8509(2)0.0385(9)
C310.7567(4)0.7483(4)0.8549(2)0.0353(8)
C321.3123(7)0.6301(7)0.9779(4)0.077(2)
H32A1.33170.57100.95320.115*
H32B1.38670.64450.98710.115*
H32C1.25600.69790.95110.115*
C331.2527(5)0.5933(4)1.0454(3)0.0436(10)
C341.3435(6)0.4902(6)1.0900(4)0.080(2)
H34A1.30610.46871.13280.120*
H34B1.41620.50791.09840.120*
H34C1.36570.42861.06720.120*
C351.2109(7)0.6912(6)1.0818(4)0.0683(17)
H35A1.15450.75591.05250.102*
H35B1.28140.71031.09240.102*
H35C1.17050.66911.12330.102*
C361.1364(4)0.5658(3)1.0332(2)0.0351(8)
C371.0141(5)0.5618(4)0.7139(2)0.0488(12)
C381.0378(8)0.4709(4)0.6732(3)0.100(3)
C391.1446(10)0.3658(8)0.7023(5)0.152(5)
H39A1.13740.34460.75100.228*
H39B1.22120.38150.69180.228*
H39C1.14280.30490.68240.228*
C401.0114(9)0.5166(7)0.5969(2)0.092(3)
H40A1.06400.56120.57830.139*
H40B0.92660.56290.58940.139*
H40C1.02690.45450.57490.139*
C410.9391(15)0.4147(16)0.6965(11)0.245(9)
H41A0.95430.34920.67760.368*
H41B0.85940.46730.68110.368*
H41C0.94110.39200.74550.368*
C420.6127(15)0.6213(11)0.5573(7)0.168(5)
H42A0.59110.59930.51830.252*
H42B0.55130.61820.59160.252*
H42C0.69160.57060.57560.252*
C430.4938(10)0.8280(12)0.5341(6)0.139(4)
H43A0.44510.82680.49700.208*
H43B0.50330.90160.52760.208*
H43C0.45310.81140.57640.208*
C440.6191(6)0.7402(6)0.5361(3)0.0606(14)
C450.6734(9)0.7598(10)0.4680(4)0.108(3)
H45A0.75820.71290.47020.162*
H45B0.66900.83800.45350.162*
H45C0.62850.74110.43590.162*
C460.6928(5)0.7598(4)0.5905(2)0.0462(11)
C470.9450(4)0.8906(4)0.8120(2)0.0376(9)
C480.9313(5)0.9908(4)0.8432(3)0.0499(11)
C560.9875(14)1.0700(10)0.7953(7)0.151(4)
H56A0.92811.11800.76010.226*
H56B1.05881.02680.77480.226*
H56C1.01141.11580.82020.226*
C570.9943(12)0.9602(10)0.9107(5)0.136(4)
H57A1.00011.02740.92210.204*
H57B1.07570.90830.90890.204*
H57C0.94800.92520.94490.204*
C580.7993(9)1.0473(9)0.8492(7)0.133(4)
H58A0.76731.00330.88660.199*
H58B0.75701.05460.80750.199*
H58C0.78691.12120.85730.199*
N10.7395(4)1.0449(3)0.6402(2)0.0455(9)
N20.9697(4)0.9052(4)0.6183(2)0.0463(9)
N31.2300(4)0.6123(4)0.8145(2)0.0468(9)
N41.1942(4)0.4180(3)0.8904(2)0.0447(9)
O10.7013(4)0.7024(4)0.65036(19)0.0638(11)
O20.7413(4)0.8384(3)0.57340(18)0.0543(9)
O30.9712(4)0.6635(3)0.6843(2)0.0575(10)
O41.0311(4)0.5272(3)0.77567(18)0.0586(10)
O50.6159(3)0.8873(3)0.72860(18)0.0554(9)
O61.0135(3)0.7941(3)0.8424(2)0.0594(10)
O70.9124(3)0.4801(3)0.91644(19)0.0526(9)
O81.0907(3)0.5954(3)0.97422(17)0.0512(8)
O90.8137(3)0.7176(3)0.91082(17)0.0500(8)
O100.8111(3)0.7148(3)0.80256(14)0.0364(6)
O110.8905(5)0.9084(3)0.75734(19)0.0648(11)
Cl10.35431(15)1.01983(18)0.71626(10)0.0838(5)
Cl20.36942(16)0.90342(14)0.99040(9)0.0761(5)

Source of material

All reagents and solvents employed were commercially available and used as received without further purification. A mixture of Gd2O3 (0.5 mmol, 0.181 g), pivalic acid (1 mmol, 0.102 g), 3,5-dichlorosalicylic acid (1 mmol, 0.207 g) and 1,10-phenanthroline (0.5 mmol, 0.090 g) were mixed in water (10 mL) and heated at 433 K for 2 d in a sealed 15 mL Teflon-lined stainless steel vessel under autogenous pressure. After cooling to room temperature at a rate of 10 K ⋅ h−1, colorless block crystals were isolated, washed with methanol and then dried in air, obtaining crystals in 37% yield.

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) and 0.93 Å (ArH).

Comment

In recent years, magnetocaloric effect (MCE), has received interest due to the possibility of replacing the expensive and increasingly rare helium-3 in ultralow-temperature refrigeration [5]. A molecule exhibiting a large MCE usually has a large spin ground state, negligible magnetic anisotropy, low-lying excited spin states and dominant ferromagnetic exchange [6]. In this regard, Gd3+ with seven unpaired 4f electrons was preferentially selected because of its intrinsic nature [7]. The case was further supported by some reported gadolinium-containing clusters [8], [9], [10], [11]. So far, a lot of investigations of MCE of pure gadolinium-clusters have been reported, nevertheless, only a few substances have been shown to display a sufficiently large MCE to be potentially useful [5]. It is still a big challenge in discovering and synthesising gadolinium-clusters with high MCE at present. The reported title structure is part of our continuing interest in magnetic materials.

3,5-Dichlorosalicylic acid contains hydroxyl and carboxyl groups, which is suitable for selection as the ligand to transition metal coordination polymers and complexes. The CCDC database shows that no rare earth complex based on 3,5-dichlorosalicylic acid and the corresponding deprotonated 3,5-dichloro-6-hydroxybenzoate has been reported by now. Pivalate has been proved to be a good ligand for the synthesis of rare earth clusters [12], [13], [14]. Armed with the aforementioned information, we report here the synthesis and crystal structure of a new Gd4 complex.

The complex, crystallized as [Gd4(C7H2Cl2O3)2(C5H9O2)8(Phen)4], belongs to the triclinic system. The structure of this complex is centrosymmetric with half of the complex forming the asymmetric unit (cf. the figure). Each Gd2(C7H2Cl2O3) (C5H9O2)4(Phen)2 unit is bridged by two μ2-type of pivalato ligands to give a Gd(1)-Gd(1A) separation of 5.366 Å. Gd(1)-Gd(2) were bridged by one 3,5-dichlorosalicylic acid and two pivalate ligands with the Gd1-Gd1′ distance 4.234 Å (′ = 2−x, 1−y, 2−z). Each Gd3+ ion is octa-coordinated and among the four Gd3+ atoms there are two kinds of coordination environments. For Gd(1) atom, the coordination sites are six O atoms of 3,5-dichloro-2-oxidobenzoato and pivalate and ligands, two N atoms of phen. For Gd(2) the coordination environment consists of one pivalate ligand adopting a κ2O,O coordination mode, which is different from μ2 modes of other pivalate ligands. The four Gd3+ atoms are not in a straight line. The crystal packing doesn’t exhibit classical hydrogen bonds.

Acknowledgements

This work was supported by Henan province key project of science and technology (No. 182102210200).

References

1. BRUKER. APEX2. Bruker AXS Inc., Madison, WI, USA (2005).Search in Google Scholar

2. BRUKER. SAINT-Plus. Bruker AXS Inc., Madison, WI, USA (2001).Search in Google Scholar

3. Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Search 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. Zheng, Y. Z.; Zhou, G. J.; Zheng, Z.; Winpenny, R. E.: Molecule-based magnetic coolers. Chem. Soc. Rev. 43 (2014) 1462–1475.10.1039/C3CS60337GSearch in Google Scholar

6. Peng, J. B.; Zhang, Q. C.; Kong, X. J.; Ren, Y. P.; Long, L. S.; Huang, R. B.; Zheng, Z.: A 48-metal cluster exhibiting a large magnetocaloric effect. Angew. Chem. Int. Ed. 50 (2011) 10649–10652.10.1002/anie.201105147Search in Google Scholar PubMed

7. Chang, L. X.; Xiong, G.; Wang, L.; Cheng, P.; Zhao, B.: A 24-Gd nanocapsule with a large magnetocaloric effect. Chem. Commun. 49 (2013) 1055–1057.10.1039/C2CC35800JSearch in Google Scholar PubMed

8. Chesman, A. S.; Turner, D. R.; Moubaraki, B.; Murray, K. S.; Deacon, G. B.; Batten, S. R.: Tetradecanuclear polycarbonatolanthanoid clusters: diverse coordination modes of carbonate providing access to novel core geometries. Dalton Trans. 41 (2012) 10903–10909.10.1039/c2dt31101aSearch in Google Scholar PubMed

9. Alexandropoulos, D. I.; Mukherjee, S.; Papatriantafyllopoulou, C.; Raptopoulou, C. P.; Psycharis, V.; Bekiari, V.; Stamatatos, T. C.: A new family of nonanuclear lanthanide clusters displaying magnetic and optical properties. Inorg. Chem. 50 (2011) 11276–11278.10.1021/ic2013683Search in Google Scholar PubMed

10. Evangelisti, M.; Roubeau, O.; Palacios, E.; Camón, A.; Hooper, T. N.; Brechin, E. K.; Alonso, J. J.: Cryogenic magnetocaloric effect in a ferromagnetic molecular. Angew. Chem. Int. Ed. 50 (2011) 6606–6609.10.1002/anie.201102640Search in Google Scholar PubMed

11. Guo, F. S.; Leng, J. D.; Liu, J. L.; Meng, Z. S.; Tong, M. L.: Polynuclear and polymeric gadolinium acetate derivatives with large magnetocaloric effect. Inorg. Chem. 51 (2011) 405–413.10.1021/ic2018314Search in Google Scholar PubMed

12. Zheng, Y. Z.; Evangelisti, M.; Winpenny, R. E.: Large magnetocaloric effect in a Wells-Dawson type {Ni6Gd6P6} cage. Angew. Chem. Int. Ed. 50 (2011) 3692–3695.10.1002/anie.201008074Search in Google Scholar PubMed

13. Zheng, Y. Z.; Evangelisti, M.; Tuna, F.; Winpenny, R. E.: Co-Ln mixed-metal phosphonate grids and cages as molecular magnetic refrigerants. J. Am. Chem. Soc. 134 (2012) 1057–1065.10.1021/ja208367kSearch in Google Scholar PubMed

14. Zheng, Y. Z.; Evangelisti, M.; Winpenny, R. E.: Co-Gd phosphonate complexes as magnetic refrigerants. Chem. Sci. 2 (2011) 99–102.10.1039/C0SC00371ASearch in Google Scholar

Received: 2018-06-10
Accepted: 2018-09-30
Published Online: 2018-10-16
Published in Print: 2018-12-19

©2018 Guo Yuhua et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of bis(6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-diiodophenolato)-κ4N,N′,O,O′)cer(IV), C32H20CeI8N4O4
  3. Crystal structure of (6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato-κ2N,O))copper(II), C16H12Cl2CuN2O2
  4. Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:O′)samarium(III)], C26H18N2O9Sm
  5. Crystal structure of 1-{4-[(2-hydroxy-5-nitrobenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15N3O4
  6. Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)-bis(μ2-1-(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6O:O,N,N′,O′:O′)trizinc(II), C44H38Zn3N4O12
  7. Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)–bis(μ2–(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6O:O,N,N′,O′:O′)tricobalt(II), C44H38Co3N4O12
  8. Crystal structure of poly[aqua(μ4-2,2′,2′′-nitrilotriacetato-κ6O1,O3,O5:O2:O4:O6)-yttrium(III)], C6H8NO7Y
  9. Crystal structure of catena-poly[bromido-(μ2-pyrazine-2-carboxylato-κ3N:N′,O)copper(II)], C10H6N4Cu2O4Br
  10. Crystal structure of poly[dodekais(μ2-2,6-difluorobenzoato-κ2O:O′)-bis((μ3-hexamethylenetetramine-κ3N:N′:N′′)hexacopper(II)], C48H30N4O12F12Cu3
  11. Crystal structure of methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H18N2O6
  12. Crystal structure of N-phenyl-2-(propan-2-ylidene)hydrazine-1-carbothioamide, C10H13N3S
  13. Crystal structure of sodium caesium zinc phosphate, NaCsZnP2O7
  14. Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3
  15. Crystal structure of catena-poly[bis(μ2-1,3-di(4H-1,2,4-triazol-4-yl)benzene-κ2N:N′)-bis(thiocyanato-κ1N)cobalt(II), C22H16CoN14S2
  16. Crystal structure of catena-poly[(μ2-2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ2N:N′)-bis(2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ1N)-bis(thiocyanato-κ1N)cobalt(II)], C38H24CoN14S5
  17. Crystal structure of bis(2,5-di(pyridin-2-yl)-1,3,4-thiadiazole-κ2N,N′)-bis(thiocyanato-κ1N)cobalt(II), C26H16CoN10S4
  18. Crystal structure of (bis((1H-benzo[d]imidazol2-yl)methyl)amine-κ3N,N′,N′′)-(pyridine-2,6-dicarboxylato-κ3N,O,O′)zinc(II) — methanol — water (1/2/1), C25H28N6O7Zn
  19. Crystal structure of catena-poly[triaqua-(μ2-5-methoxy-isophthalato-κ2O:O′)copper(II)], C9H12CuO8
  20. Structure and photochromism of 1-[2-methyl-5-phenyl-3-thienyl]-2-[2-methyl-5-(4-chlorophenyl)-3-thienyl]3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16ClF6S2
  21. Crystal structure of methyl 4-(3-phenoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C26H27NO4
  22. Crystal structure of poly[diaqua-di-μ2-hydroxido-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′:O′′′)-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ5O,O:O′:O′′:O′′′)disamarium(III)] – bipyridine (2/1), C21H11NF16O12Sm2
  23. Crystal structural of diethyl 4-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C19H21Br2NO5
  24. Crystal structure of catena-poly[tetraaqua(μ2-4-(1H-imidazol-1-yl)pyridine-κ2N:N′))zinc(II)] thiophene-2,5-dicarboxylate, C14H17N3O8ZnS
  25. Crystal structure of (20S)-20-(dimethylamino)-3-(tigloylamino)-5α-pregn-2,16-dien-4-one, C28H42N2O2
  26. Crystal structure of rac-trans-N,N′-bis(3,5-diiodosalicylidene)-1,2-cyclohexanediamine, C20H18I4N2O2
  27. Crystal structure of 2-bromo-7-(4-(dimethylamino)phenyl)-10-methylacridin-9 (10H)-one, C22H19BrN2O
  28. Crystal structure of catena-poly[(μ2-pentane-1,5-dicarboxylato-κ2O:O′)-(μ2-2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κ2N:N′)zinc(II)] sesquihydrate, C17H21N4O5.5Zn
  29. Crystal structure of ethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C21H15F2NO5
  30. Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S
  31. Crystal structure of [5,5′-((propane-1,3-diylbis(azanylylidene))bis(ethan-1-yl-2-ylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4N,N′,N′′,N′′′]nickel(II), C23H30N4O4Ni
  32. Crystal structure of (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazineyl) terephthalic acid-dimethylsulfoxide (1/1), C18H15N3O6 ⋅ C2H6OS
  33. Crystal structure of (2E,4Z)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate, C14H15N1O4
  34. Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4
  35. Crystal structure of ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C21H16BrNO5
  36. Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2O:O′)-bis(pivalato-κ2O,O′)-tetrakis(1,10-phenanthroline-κ2N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22
  37. Crystal structure of catena-poly[aqua-bis(formato-κ1O)-(μ2-1,1′-(oxybis(1,4-phenylene))-bis(1H-1,2,4-triazole)-κ2N:N′)copper(II)]hydrate, C18H16CuN6O6
  38. Crystal structure of 5-bromo-2-(naphthalen-6-yl)pyridine, C15H10BrN
  39. Crystal structure of N-(4-methoxybenzyl)pyridazin-3-amine- a rare Z′ = 4 structure, C12H13N3O
  40. Crystal structure of bis(perchlorato-κ1O)-bis(3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide-κ2N,O)copper(II), C32H30Cl2CuN4O16
  41. Crystal structure of methyl 4-methyl-2,5-di(pyridin-4-yl)-1H-pyrrole-3-carboxylate monohydrate C17H15N3O2⋅H2O
  42. Crystal structure of dimethyl 5-(10-(methoxycarbonyl)anthracen-9-yl) isophthalate,C26H20O6
  43. Crystal structure of tert-butyl (R)-(1-(benzylamino)-3-methoxy-1-oxopropan-2-yl)carbamate, C16H24N2O4
  44. Crystal structure of aqua-bis(1,5-dimethyl-2-phenyl-4-(((E)-4-pyridylmethylene)amino)pyrazolidin-3-one-κN)-(nitrato-κO)-(nitrato-κ2O,O′)zinc(II), C34H34N10O9Zn
  45. Crystal structure of catena-poly[dichlorido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O)cobalt(II)] – methanol (1/1), C18H20Cl2CoN4O2
  46. Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12
  47. The crystal structure of 4-((3,4-dichlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, C18H15Cl2N3O
  48. Crystal structure of bis(2-methoxy-6-((2-(pyrimidin-2-yl)hydrazono)methyl)phenolato-κ3N,N′,O)iron(III) perchlorate, C24H22N8O8ClFe
  49. The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4
  50. Crystal structure of diaqua-bis(3,3-dimethylacrylato-κ2O,O′)zinc(II), C10H18ZnO6
  51. Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4
  52. Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3
  53. Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-((pyridin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C32H31N5O2
  54. The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O
  55. Crystal structure of (2,2′-bipyridine-κ2N,N′)bis(tri(p-tolyl)phosphine-κP)copper(I) tetrafluoroborate – 4,4′-bipyridine (2/1), C57H54BCuF4N3P2
  56. The crystal structure of 2,6-dimethyl-3,5-dinitrocyclohexa-2,5-diene-1,4-dione, C8H6N2O6
  57. The crystal structure of 2,3-dimethyl-1,4-dinitrobenzene – a Z′ = 4 structure, C8H8N2O4
  58. Crystal structure of [(1,2-η)-1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl] (1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-κ6N2,O4) rubidium (I), [Rb(diaza-18-crown-6)]Cp*, C22H41N2O4Rb
  59. Crystal structure of 2-(4-fluorophenyl)-N-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5), C23.5H23FN2O2S
  60. Crystal structure of pyrene-4-aldehyde, C17H10O
  61. Crystal structure of 2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxylic acid, C10H12O5
  62. Crystal structure of 2-(4-chlorophenyl)-3-phenyl-1,8-naphthyridine, C20H13N2Cl
  63. Crystal structure and photochromism of 1-(2-ethyl-5-formylthiophen-3yl)-2-(2-cyano-1,5-dimethyl-4-pyrrl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C19H14F6N2OS
  64. Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16BrIN2
  65. Crystal structure of 2-(4-(dimethylamino)phenyl)-10-methylacridin-9(10H)-one, C22H20N2O
  66. Crystal structure of 4-(acetoxymethyl)-6-(3-acetyl-3-(4-fluorophenyl)thioureido)cyclohex-4-ene-1,2,3-triyl triacetate, C24H26FN2O9S
https://doi.org/10.1515/ncrs-2018-0204
Creative Commons
BY-NC-ND 4.0

Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of bis(6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-diiodophenolato)-κ4N,N′,O,O′)cer(IV), C32H20CeI8N4O4
  3. Crystal structure of (6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato-κ2N,O))copper(II), C16H12Cl2CuN2O2
  4. Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:O′)samarium(III)], C26H18N2O9Sm
  5. Crystal structure of 1-{4-[(2-hydroxy-5-nitrobenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15N3O4
  6. Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)-bis(μ2-1-(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6O:O,N,N′,O′:O′)trizinc(II), C44H38Zn3N4O12
  7. Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)–bis(μ2–(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6O:O,N,N′,O′:O′)tricobalt(II), C44H38Co3N4O12
  8. Crystal structure of poly[aqua(μ4-2,2′,2′′-nitrilotriacetato-κ6O1,O3,O5:O2:O4:O6)-yttrium(III)], C6H8NO7Y
  9. Crystal structure of catena-poly[bromido-(μ2-pyrazine-2-carboxylato-κ3N:N′,O)copper(II)], C10H6N4Cu2O4Br
  10. Crystal structure of poly[dodekais(μ2-2,6-difluorobenzoato-κ2O:O′)-bis((μ3-hexamethylenetetramine-κ3N:N′:N′′)hexacopper(II)], C48H30N4O12F12Cu3
  11. Crystal structure of methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H18N2O6
  12. Crystal structure of N-phenyl-2-(propan-2-ylidene)hydrazine-1-carbothioamide, C10H13N3S
  13. Crystal structure of sodium caesium zinc phosphate, NaCsZnP2O7
  14. Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3
  15. Crystal structure of catena-poly[bis(μ2-1,3-di(4H-1,2,4-triazol-4-yl)benzene-κ2N:N′)-bis(thiocyanato-κ1N)cobalt(II), C22H16CoN14S2
  16. Crystal structure of catena-poly[(μ2-2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ2N:N′)-bis(2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ1N)-bis(thiocyanato-κ1N)cobalt(II)], C38H24CoN14S5
  17. Crystal structure of bis(2,5-di(pyridin-2-yl)-1,3,4-thiadiazole-κ2N,N′)-bis(thiocyanato-κ1N)cobalt(II), C26H16CoN10S4
  18. Crystal structure of (bis((1H-benzo[d]imidazol2-yl)methyl)amine-κ3N,N′,N′′)-(pyridine-2,6-dicarboxylato-κ3N,O,O′)zinc(II) — methanol — water (1/2/1), C25H28N6O7Zn
  19. Crystal structure of catena-poly[triaqua-(μ2-5-methoxy-isophthalato-κ2O:O′)copper(II)], C9H12CuO8
  20. Structure and photochromism of 1-[2-methyl-5-phenyl-3-thienyl]-2-[2-methyl-5-(4-chlorophenyl)-3-thienyl]3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16ClF6S2
  21. Crystal structure of methyl 4-(3-phenoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C26H27NO4
  22. Crystal structure of poly[diaqua-di-μ2-hydroxido-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′:O′′′)-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ5O,O:O′:O′′:O′′′)disamarium(III)] – bipyridine (2/1), C21H11NF16O12Sm2
  23. Crystal structural of diethyl 4-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C19H21Br2NO5
  24. Crystal structure of catena-poly[tetraaqua(μ2-4-(1H-imidazol-1-yl)pyridine-κ2N:N′))zinc(II)] thiophene-2,5-dicarboxylate, C14H17N3O8ZnS
  25. Crystal structure of (20S)-20-(dimethylamino)-3-(tigloylamino)-5α-pregn-2,16-dien-4-one, C28H42N2O2
  26. Crystal structure of rac-trans-N,N′-bis(3,5-diiodosalicylidene)-1,2-cyclohexanediamine, C20H18I4N2O2
  27. Crystal structure of 2-bromo-7-(4-(dimethylamino)phenyl)-10-methylacridin-9 (10H)-one, C22H19BrN2O
  28. Crystal structure of catena-poly[(μ2-pentane-1,5-dicarboxylato-κ2O:O′)-(μ2-2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κ2N:N′)zinc(II)] sesquihydrate, C17H21N4O5.5Zn
  29. Crystal structure of ethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C21H15F2NO5
  30. Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S
  31. Crystal structure of [5,5′-((propane-1,3-diylbis(azanylylidene))bis(ethan-1-yl-2-ylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4N,N′,N′′,N′′′]nickel(II), C23H30N4O4Ni
  32. Crystal structure of (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazineyl) terephthalic acid-dimethylsulfoxide (1/1), C18H15N3O6 ⋅ C2H6OS
  33. Crystal structure of (2E,4Z)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate, C14H15N1O4
  34. Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4
  35. Crystal structure of ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C21H16BrNO5
  36. Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2O:O′)-bis(pivalato-κ2O,O′)-tetrakis(1,10-phenanthroline-κ2N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22
  37. Crystal structure of catena-poly[aqua-bis(formato-κ1O)-(μ2-1,1′-(oxybis(1,4-phenylene))-bis(1H-1,2,4-triazole)-κ2N:N′)copper(II)]hydrate, C18H16CuN6O6
  38. Crystal structure of 5-bromo-2-(naphthalen-6-yl)pyridine, C15H10BrN
  39. Crystal structure of N-(4-methoxybenzyl)pyridazin-3-amine- a rare Z′ = 4 structure, C12H13N3O
  40. Crystal structure of bis(perchlorato-κ1O)-bis(3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide-κ2N,O)copper(II), C32H30Cl2CuN4O16
  41. Crystal structure of methyl 4-methyl-2,5-di(pyridin-4-yl)-1H-pyrrole-3-carboxylate monohydrate C17H15N3O2⋅H2O
  42. Crystal structure of dimethyl 5-(10-(methoxycarbonyl)anthracen-9-yl) isophthalate,C26H20O6
  43. Crystal structure of tert-butyl (R)-(1-(benzylamino)-3-methoxy-1-oxopropan-2-yl)carbamate, C16H24N2O4
  44. Crystal structure of aqua-bis(1,5-dimethyl-2-phenyl-4-(((E)-4-pyridylmethylene)amino)pyrazolidin-3-one-κN)-(nitrato-κO)-(nitrato-κ2O,O′)zinc(II), C34H34N10O9Zn
  45. Crystal structure of catena-poly[dichlorido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O)cobalt(II)] – methanol (1/1), C18H20Cl2CoN4O2
  46. Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12
  47. The crystal structure of 4-((3,4-dichlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, C18H15Cl2N3O
  48. Crystal structure of bis(2-methoxy-6-((2-(pyrimidin-2-yl)hydrazono)methyl)phenolato-κ3N,N′,O)iron(III) perchlorate, C24H22N8O8ClFe
  49. The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4
  50. Crystal structure of diaqua-bis(3,3-dimethylacrylato-κ2O,O′)zinc(II), C10H18ZnO6
  51. Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4
  52. Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3
  53. Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-((pyridin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C32H31N5O2
  54. The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O
  55. Crystal structure of (2,2′-bipyridine-κ2N,N′)bis(tri(p-tolyl)phosphine-κP)copper(I) tetrafluoroborate – 4,4′-bipyridine (2/1), C57H54BCuF4N3P2
  56. The crystal structure of 2,6-dimethyl-3,5-dinitrocyclohexa-2,5-diene-1,4-dione, C8H6N2O6
  57. The crystal structure of 2,3-dimethyl-1,4-dinitrobenzene – a Z′ = 4 structure, C8H8N2O4
  58. Crystal structure of [(1,2-η)-1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl] (1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-κ6N2,O4) rubidium (I), [Rb(diaza-18-crown-6)]Cp*, C22H41N2O4Rb
  59. Crystal structure of 2-(4-fluorophenyl)-N-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5), C23.5H23FN2O2S
  60. Crystal structure of pyrene-4-aldehyde, C17H10O
  61. Crystal structure of 2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxylic acid, C10H12O5
  62. Crystal structure of 2-(4-chlorophenyl)-3-phenyl-1,8-naphthyridine, C20H13N2Cl
  63. Crystal structure and photochromism of 1-(2-ethyl-5-formylthiophen-3yl)-2-(2-cyano-1,5-dimethyl-4-pyrrl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C19H14F6N2OS
  64. Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16BrIN2
  65. Crystal structure of 2-(4-(dimethylamino)phenyl)-10-methylacridin-9(10H)-one, C22H20N2O
  66. Crystal structure of 4-(acetoxymethyl)-6-(3-acetyl-3-(4-fluorophenyl)thioureido)cyclohex-4-ene-1,2,3-triyl triacetate, C24H26FN2O9S
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 21.11.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2018-0204/html
Scroll to top button