Home Physical Sciences The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2
Article Open Access

The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2

  • Ze-en Xiao , Yiqun Wang and Hao Cui ORCID logo EMAIL logo
Published/Copyright: August 1, 2023
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 238 Issue 5

Abstract

C49H36N4O4Cl2, triclinic, P 1 ‾ (no. 2), a = 6.3858(2) Å, b = 12.6484(4) Å, c = 12.7115(5) Å, α = 95.986(3)°, β = 102.790(3)°, γ = 95.563(3)°, V = 988.12(6) Å3, Z = 1, R gt (F) = 0.0603, wR ref (F2) = 0.1683, T = 150 K.

CCDC no.: 2262833

The crystal 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: Dark purple block
Size: 0.35 × 0.19 × 0.18 mm
Wavelength: Cu Kα radiation (1.54184 Å)
μ: 1.90 mm−1
Diffractometer, scan mode: SuperNova, ω-scans
θmax, completeness: 76°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 6696, 3969, 0.036
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3534
N(param)refined: 348
Programs: OLEX2 [1], SHELX [2, 3]
Table 2:

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

x y z Uiso*/Ueq
Cl1Sa 0.2280 (10) 0.0418 (4) 0.0932 (6) 0.156 (3)
Cl2Sa −0.1196 (13) −0.0396 (3) −0.1003 (4) 0.144 (3)
C1Sa −0.0548 (18) −0.0027 (8) 0.0405 (8) 0.087 (3)
H1SAa −0.096614 −0.064800 0.076165 0.105*
H1SBa −0.139273 0.055410 0.058419 0.105*
O1 1.2406 (3) 0.09384 (15) 0.73863 (16) 0.0410 (5)
O2 1.0017 (3) −0.03542 (13) 0.63060 (14) 0.0300 (4)
N1 0.1405 (3) 0.39761 (13) 0.41279 (13) 0.0173 (4)
N2 0.2506 (3) 0.49635 (13) 0.63884 (13) 0.0168 (3)
H2 0.150 (5) 0.503 (2) 0.579 (3) 0.036 (8)*
C23 −0.3878 (4) 0.2172 (2) −0.0346 (2) 0.0353 (6)
H23 −0.522 (6) 0.172 (3) −0.064 (3) 0.051 (10)*
C1 0.4371 (3) 0.35769 (15) 0.55876 (16) 0.0167 (4)
C2 0.3175 (3) 0.34798 (15) 0.45054 (16) 0.0176 (4)
C21 −0.0564 (4) 0.3066 (2) −0.05757 (19) 0.0347 (6)
H21 0.055 (6) 0.323 (3) −0.104 (3) 0.047 (9)*
C22 −0.2436 (5) 0.2366 (2) −0.09873(18) 0.0348 (6)
H22 −0.270 (6) 0.206 (3) −0.172 (3) 0.054 (10)*
C3 0.3709 (3) 0.28119(17) 0.36215(17) 0.0225 (4)
H3 0.488 (5) 0.244 (2) 0.371 (2) 0.025 (7)*
C24 −0.3433 (4) 0.26741(19) 0.07230(18) 0.0283 (5)
H24 −0.443 (5) 0.253 (2) 0.118 (3) 0.035 (8)*
C4 0.2219 (3) 0.29022(17) 0.27088(17) 0.0224 (4)
H4 0.217 (5) 0.256 (2) 0.199 (2) 0.032 (7)*
C20 −0.0120 (4) 0.3574 (2) 0.04894(18) 0.0280 (5)
H20 0.124 (5) 0.403 (2) 0.078 (2) 0.030 (7)*
C5 0.0774 (3) 0.36203 (16) 0.30351 (16) 0.0177 (4)
C19 −0.1541 (3) 0.33699 (17) 0.11530 (16) 0.0209 (4)
C6 −0.1055 (3) 0.38726 (15) 0.23132 (15) 0.0177 (4)
C7 0.4040 (3) 0.42735 (15) 0.64513 (16) 0.0173 (4)
C8 0.5116 (3) 0.43411 (17) 0.75746 (16) 0.0213 (4)
H8 0.627 (4) 0.393 (2) 0.787 (2) 0.023 (6)*
C9 0.4195 (3) 0.50505 (17) 0.81527 (16) 0.0217 (4)
H9 0.450 (5) 0.523 (2) 0.893 (2) 0.031 (7)*
C10 0.2518 (3) 0.54427 (16) 0.74108 (16) 0.0177 (4)
C11 0.6024 (3) 0.28253 (16) 0.58639 (15) 0.0180 (4)
C12 0.5367 (3) 0.17207 (16) 0.57153 (16) 0.0198 (4)
H12 0.387 (4) 0.1477 (19) 0.541 (2) 0.016 (6)*
C13 0.6857 (3) 0.10081 (16) 0.59960 (17) 0.0206 (4)
H13 0.632 (4) 0.027 (2) 0.588 (2) 0.021 (6)*
C14 0.9025 (3) 0.13892 (16) 0.64362 (15) 0.0189 (4)
C15 0.9691 (3) 0.24902 (17) 0.65898 (17) 0.0209 (4)
H15 1.123 (4) 0.275 (2) 0.691 (2) 0.017 (6)*
C16 0.8200 (3) 0.31993 (16) 0.63030 (17) 0.0210 (4)
H16 0.864 (4) 0.395 (2) 0.640 (2) 0.019 (6)*
C17 1.0677 (3) 0.06596 (17) 0.67762 (17) 0.0229 (4)
C18 1.1543 (4) −0.1107 (2) 0.6585 (2) 0.0354 (6)
H18A 1.165 (5) −0.119 (3) 0.733 (3) 0.041 (8)*
H18B 1.290 (6) −0.089 (3) 0.645 (3) 0.047 (9)*
H18C 1.090 (6) −0.179 (3) 0.608 (3) 0.051(9)*

  1. aOccupancy: 0.50.

1 Source of materials

All chemicals were purchased from commercial sources and used as received without further purification. Procedures for preparation of 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate were adapted from the reported paper [4]. A solution of pyrrole (9.84 mL, 80 mmol) in propionic acid (20 mL) was added dropwise to a stirred 140 °C solution of benzaldehyde (2.04 mL, 20 mmol) and methyl p-formylbenzoate (9.84 g, 60 mmol) in propionic acid (120 mL). The reaction was stirred at 140 °C for 1 h. After that, the propionic acid was removed to afford the crude product. Then, the crude product was purified by column chromatography on silica gel with DCM/PE (1:1 by vol) to give the compound (0.45 g, 10 %) as an aubergine colored solid. 1H NMR (400 MHz, DCCl3) δ 8.84 (4 H, s), 8.78 (4H, d, J = 6.9), 8.42 (4H, d, J = 7.6), 8.28 (4 H, d, J = 7.7), 8.19 (1 H, d, J = 7.0), 7.75 (6H, m), 4.09 (6 H, s), −2.81 (2 H, s). MS (m/z): [M]+ calcd. for C48H34N4O4, 731.2614; found, 731.2666. Single crystals were obtained from solution of the title compound in DCM by evaporation at room temperature for two days.

2 Experimental details

Using Olex2 [1], the structure was solved with the ShelXT [2] structure solution program and refined with the ShelXL [3] refinement package. The positions of the hydrogen atoms were generated geometrically.

3 Comment

PMOFs (Porphyrin metal-organic frameworks), a kind of porous coordination materials are made of porphyrin ligands, due to their unique structure and photochemical properties [4]. It is widely used in catalysis [5], [6], [7], adsorption [6], photodynamic therapy [8] and other fields [9]. The design and synthesis of porphyrin ligands containing different types and numbers of coordination groups is very important for the synthesis of PMOFs.

The asymmetric unit contains the half porphyrin and half dichloromethane, which is different from the porphyrin complex reported in the literature, which contains one porphyrin molecule and two water molecules [11]. The substituent at the substitution positions of porphyrin 5,15 is 4-methoxyformyl phenyl and the substituent at position 10,20 is phenyl. The bond lengths and angles within the molecule are in the expected ranges. Viewing porphyrin ring closer for C–N bond and C–C bond [10, 11]. The distance of N1–C2, N1–C5, N2–C7, N2–C10 is 1.365(2), 1.371(3), 1.369(3), 1.374(3) Å. Voidspace between porphyrin molecules in the structure are occupied by dichloromethane molecules.

Corresponding author: Hao Cui, School of Pharmaceutical Sciences, Guangxi University of Chinese Medicine, Nanning 530200, P.R. China, E-mail:

Funding source: Science and Technology Planning Project of Guangxi Zhuang Autonomous Region

Award Identifier / Grant number: Gui ke AD19245096

Funding source: Doctoral Scientific Research Foundation of Guangxi University of Chinese Medicine

Award Identifier / Grant number: 2018BS018

Funding source: College Student Innovation and Entrepreneurship Program Training Program

Award Identifier / Grant number: S2021110600117

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

  2. Research funding: This work was funded by Science and Technology Planning Project of Guangxi Zhuang Autonomous Region (Gui ke AD19245096), Doctoral Scientific Research Foundation of Guangxi University of Chinese Medicine (2018BS018), and College Student Innovation and Entrepreneurship Program Training Program (S2021110600117).

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

References

1. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., Puschmann, H. OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Crystallogr. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.Search in Google Scholar

2. Sheldrick, G. M. SHELXT – integrated space-group and crystal-structure determination. Acta Crystallogr. 2015, A71, 3–8; https://doi.org/10.1107/s2053273314026370.Search in Google Scholar PubMed PubMed Central

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

4. Sun, S., Pan, M., Hu, X., Shao, W., Li, J., Zhang, F. MnIII(porphyrin)-based porous coordination polymers: synthesis, catalytic activities for the oxidation of ethylbenzene. Catal. Lett. 2016, 146, 1087–1098; https://doi.org/10.1007/s10562-016-1729-2.Search in Google Scholar

5. Supriya, S., Shetti, V. S., Hegde, G. Conjugated systems of porphyrin-carbon nanoallotropes: a review. New J. Chem. 2018, 42, 12328–12348; https://doi.org/10.1039/c8nj02254b.Search in Google Scholar

6. Wang, L. Y., Huang, H. C., Zhang, X. Y., Zhao, H. S., Li, F. T., Gu, Y. F. Designed metal-organic frameworks with potential for multi-component hydrocarbon separation. Coord. Chem. Rev. 2023, 485, 215121; https://doi.org/10.1016/j.ccr.2023.215111.Search in Google Scholar

7. Chen, Z. Y., Liu, J. W., Cui, H., Zhang, L., Su, C. Y. Applications of porphyrin metal-organic frameworks in CO2 capture and conversion. Acta Chim. Sin. 2019, 77, 242–252; https://doi.org/10.6023/a18100440.Search in Google Scholar

8. Figueira, F., Tome, J. P. C., Paz, F. A. A. Porphyrin nano metal-organic frameworks as cancer theranostic agents. Molecules 2022, 27, 3111; https://doi.org/10.3390/molecules27103111.Search in Google Scholar PubMed PubMed Central

9. Soman, R., Sujatha, S. A., Arunkumar, C. Protonation and axial ligation intervened fluorescence turn-off sensing of picric acid in freebase and tin(IV) porphyrins. RSC Adv. 2015, 5, 93243–93247; https://doi.org/10.1039/c5ra18310c.Search in Google Scholar

10. Bao, C. J., Li, Y. W., Li, Y. H., Si, Z. J., Zhang, Y. R., Chen, C. S., Wang, L., Duan, Q. A series of asymmetric and symmetric porphyrin derivatives: one-pot synthesis, nonlinear optical and optical limiting properties. New J. Chem. 2021, 45, 5258–5266; https://doi.org/10.1039/d1nj02632a.Search in Google Scholar

11. Zhang, D. W., Chen, W. T. Two novel TCPP porphyrinic compounds: in situ synthese, characterization and reaction mechanism. J. Chil. Chem. Soc. 2017, 62, 3381–3385; https://doi.org/10.4067/s0717-97072017000100015.Search in Google Scholar
Received: 2023-05-14
Accepted: 2023-07-19
Published Online: 2023-08-01
Published in Print: 2023-10-26

© 2023 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 (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ4N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C40H39SmN8O14
  4. The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(2-chloro-4-methyl phenolate-κ4N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV), C27H27Cl2N3O6Ti
  5. N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O
  6. Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O
  7. Crystal structure of dipyridine-k1N-tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olato-k2O,O′)dysprosium(III), DyC43H67O6N2
  8. Crystal structure of cyclo[tetraiodido-bis{μ2-1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-isopropyl-imidazol)-k2N:N}dicadmiun(II)], C26H30N10Cd2I4
  9. The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2
  10. The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C27H32FN3O9
  11. Crystal structure of (μ2-1-(4,4′-bipyridine-κ2N:N′)-bis[diaqua-(4-iodopyridine-2,6-dicarboxylato-κ3O,N,O′)–cobalt(II)], C24H20Co2I2N4O12
  12. The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2
  13. (E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide C14H23N3S1
  14. The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO
  15. Crystal structure of (E)-2-amino-N′-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide – dimethylformamide – water (1/1/2), C15H16N4O3·C3H7NO·2H2O
  16. Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2
  17. Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C12H9N2Br
  18. Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO
  19. The crystal structure of nitroterephthalic acid, C8H5NO6
  20. Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2
  21. Crystal structure of tetraaqua-bis(ethanol-κO)-tetrakis(μ2-trifluoroacetate-κ2O:O′)-bis(trifluoroacetate-κ2O)digadolinium(III) Gd2C16H20O18F18
  22. The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C50H32Cl6F4N4O4
  23. The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4
  24. The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ3N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg
  25. Crystal structure of poly[diaqua-(bis(μ2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′] cobalt(II)-tetraqua-bis(1,4-bis(imidazol-1-ylmethyl)benzene)-κ1N)-cobalt(II) di(2,5-thiophenedicarboxylate) dihydrate, C68H76Co2N16O16S2
  26. Crystal structure of poly[chlorido-μ2-chlorido-(μ2-1-[(2-ethyl-4-methyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κN:N’)cadmium(II)], C13H15CdN5Cl2
  27. The crystal structure of (4-hydroxybenzenesulfonate)-k1O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ2N,N,μ2O,O,κ2O, O)-(methanol)-cobalt(II) sodium(I), C25H27CoN2NaO9S
  28. Crystal structure of (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C17H18F6N6O
  29. Crystal structure of bis{[(cyclohexylimino)(phenylimino)-l5-(methyl)diethylazane-κ2N:N′]-(ethyl)-zinc(II)]}, C38H62N6Zn2
  30. Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C13H8Br2N2OS2
  31. Crystal structure of 10-methoxy-7,11b,12,13-tetrahydro-6H-pyrazino [2′,3′:5,6]pyrazino[2,1-a]isoquinoline, C15H16N4O
  32. The crystal structure of 1-propyl-2-nitro-imidazole oxide, C6H9N3O3
  33. The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid–2-ethoxybenzamide (1/1), C17H16N2O8
  34. The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores
  35. The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ3N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O
  36. Crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis (3-(3-bromopropoxy)phenol), C20H22Br2N2O4
  37. The crystal structure of 3-(2-hydroxyphenyl)-4-phenyl-6-(p-tolyl)-2H-pyran-2-one, C24H18O3
  38. Crystal structure of bis(μ2-2-(1,5-dimethyl–3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)-(nitrato-κ2O,O′)dicobalt(II), C36H32Co2N8O4
  39. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2
  40. The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S
  41. Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C18H17N3O9
  42. Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O
  43. The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2
  44. Crystal structure of 1-(4–chlorophenyl)-4-benzoyl-3-methyl-1H-pyrazol-5-ol, C17H13ClN2O2
  45. The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C4H6O2N4
  46. Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l2-germenediamine, C63H94B2GeN8
  47. The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C15H12Br0.2Cl0.8N2O3Re1
  48. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6
  49. The crystal structure of poly[2-(4-carboxypyridin-3-yl)terephthalpoly[diaqua-(μ4-2-(6-carboxylatopyridin-3-yl)terephthalato-κ5O,N:O′:O″,O‴)]) cadmium(II)] dihydrate, C28H20Cd3N2O16
  50. Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ1N)cobalt(II)] tetrahydrate, C26H32CoN2O16
  51. Crystal structure of bis(μ2-azido-κ2N:N)-tetrakis(azido-κ1N)-tetrakis(1,10-phenanthroline-κ2N,N′)dibismuth(III), C48H32N26Bi2
  52. Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8
  53. Crystal structure of poly[diaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)-bis(μ2-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C27H28N4O16Zn2
  54. Crystal structure of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, C12H14N2
  55. Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2N,C)-[(methylsulfinyl)methane-κ1S]platinum(II), C13H13ClN2O3PtS
  56. The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9
  57. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-dimethyl-1H-pyrazol-4-amine di-methanol solvate, C18H20N6·2(CH3OH)
  58. Crystal structure of catena-poly[bis(μ2-azido-k2N:N′)-(nitrato-K2N:N′)-bis(1,10-phenanthroline-K2N:N′)samarium(III)], C24H16N11O3Sm
  59. Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6
  60. Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C5H10N3][C8F4O4]
  61. Crystal structure of 2-amino-4-(2-fluoro-4-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O
  62. Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2
https://doi.org/10.1515/ncrs-2023-0233
Creative Commons
BY 4.0

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ4N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C40H39SmN8O14
  4. The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(2-chloro-4-methyl phenolate-κ4N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV), C27H27Cl2N3O6Ti
  5. N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O
  6. Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O
  7. Crystal structure of dipyridine-k1N-tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olato-k2O,O′)dysprosium(III), DyC43H67O6N2
  8. Crystal structure of cyclo[tetraiodido-bis{μ2-1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-isopropyl-imidazol)-k2N:N}dicadmiun(II)], C26H30N10Cd2I4
  9. The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2
  10. The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C27H32FN3O9
  11. Crystal structure of (μ2-1-(4,4′-bipyridine-κ2N:N′)-bis[diaqua-(4-iodopyridine-2,6-dicarboxylato-κ3O,N,O′)–cobalt(II)], C24H20Co2I2N4O12
  12. The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2
  13. (E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide C14H23N3S1
  14. The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO
  15. Crystal structure of (E)-2-amino-N′-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide – dimethylformamide – water (1/1/2), C15H16N4O3·C3H7NO·2H2O
  16. Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2
  17. Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C12H9N2Br
  18. Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO
  19. The crystal structure of nitroterephthalic acid, C8H5NO6
  20. Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2
  21. Crystal structure of tetraaqua-bis(ethanol-κO)-tetrakis(μ2-trifluoroacetate-κ2O:O′)-bis(trifluoroacetate-κ2O)digadolinium(III) Gd2C16H20O18F18
  22. The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C50H32Cl6F4N4O4
  23. The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4
  24. The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ3N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg
  25. Crystal structure of poly[diaqua-(bis(μ2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′] cobalt(II)-tetraqua-bis(1,4-bis(imidazol-1-ylmethyl)benzene)-κ1N)-cobalt(II) di(2,5-thiophenedicarboxylate) dihydrate, C68H76Co2N16O16S2
  26. Crystal structure of poly[chlorido-μ2-chlorido-(μ2-1-[(2-ethyl-4-methyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κN:N’)cadmium(II)], C13H15CdN5Cl2
  27. The crystal structure of (4-hydroxybenzenesulfonate)-k1O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ2N,N,μ2O,O,κ2O, O)-(methanol)-cobalt(II) sodium(I), C25H27CoN2NaO9S
  28. Crystal structure of (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C17H18F6N6O
  29. Crystal structure of bis{[(cyclohexylimino)(phenylimino)-l5-(methyl)diethylazane-κ2N:N′]-(ethyl)-zinc(II)]}, C38H62N6Zn2
  30. Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C13H8Br2N2OS2
  31. Crystal structure of 10-methoxy-7,11b,12,13-tetrahydro-6H-pyrazino [2′,3′:5,6]pyrazino[2,1-a]isoquinoline, C15H16N4O
  32. The crystal structure of 1-propyl-2-nitro-imidazole oxide, C6H9N3O3
  33. The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid–2-ethoxybenzamide (1/1), C17H16N2O8
  34. The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores
  35. The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ3N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O
  36. Crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis (3-(3-bromopropoxy)phenol), C20H22Br2N2O4
  37. The crystal structure of 3-(2-hydroxyphenyl)-4-phenyl-6-(p-tolyl)-2H-pyran-2-one, C24H18O3
  38. Crystal structure of bis(μ2-2-(1,5-dimethyl–3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)-(nitrato-κ2O,O′)dicobalt(II), C36H32Co2N8O4
  39. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2
  40. The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S
  41. Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C18H17N3O9
  42. Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O
  43. The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2
  44. Crystal structure of 1-(4–chlorophenyl)-4-benzoyl-3-methyl-1H-pyrazol-5-ol, C17H13ClN2O2
  45. The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C4H6O2N4
  46. Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l2-germenediamine, C63H94B2GeN8
  47. The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C15H12Br0.2Cl0.8N2O3Re1
  48. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6
  49. The crystal structure of poly[2-(4-carboxypyridin-3-yl)terephthalpoly[diaqua-(μ4-2-(6-carboxylatopyridin-3-yl)terephthalato-κ5O,N:O′:O″,O‴)]) cadmium(II)] dihydrate, C28H20Cd3N2O16
  50. Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ1N)cobalt(II)] tetrahydrate, C26H32CoN2O16
  51. Crystal structure of bis(μ2-azido-κ2N:N)-tetrakis(azido-κ1N)-tetrakis(1,10-phenanthroline-κ2N,N′)dibismuth(III), C48H32N26Bi2
  52. Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8
  53. Crystal structure of poly[diaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)-bis(μ2-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C27H28N4O16Zn2
  54. Crystal structure of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, C12H14N2
  55. Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2N,C)-[(methylsulfinyl)methane-κ1S]platinum(II), C13H13ClN2O3PtS
  56. The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9
  57. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-dimethyl-1H-pyrazol-4-amine di-methanol solvate, C18H20N6·2(CH3OH)
  58. Crystal structure of catena-poly[bis(μ2-azido-k2N:N′)-(nitrato-K2N:N′)-bis(1,10-phenanthroline-K2N:N′)samarium(III)], C24H16N11O3Sm
  59. Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6
  60. Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C5H10N3][C8F4O4]
  61. Crystal structure of 2-amino-4-(2-fluoro-4-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O
  62. Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2
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 20.12.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2023-0233/html
Scroll to top button