Startseite The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
Artikel Open Access

The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S

  • Mohammed A. Baashen , Bakr F. Abdel-Wahab , Amany S. Hegazy , Benson M. Kariuki und Gamal A. El-Hiti ORCID logo EMAIL logo
Veröffentlicht/Copyright: 8. Januar 2021
Artikel downloaden (PDF)
Veröffentlichen auch Sie bei De Gruyter Brill
Manuskript einreichen Informationen für Autor*innen
Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 236 Heft 2

Abstract

C24H16Br2FN3S, monoclinic, P21/n (no. 14), a = 14.9517(9) Å, b = 5.4857(3) Å, c = 27.9582(17) Å, β = 102.434(6)°, V = 2239.4(2) Å3, Z = 4, Rgt(F) = 0.0444, wRref(F2) = 0.1237, T = 296 K.

CCDC no.: 2049426

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

Table 1:

Data collection and handling.

Crystal:Colourless needle
Size:0.48 × 0.16 × 0.03 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:3.74 mm−1
Diffractometer, scan mode:SuperNova, ω
θmax, completeness:30.0°, >99%
N(hkl)measured, N(hkl)unique, Rint:20610, 5655, 0.037
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 3186
N(param)refined:280
Programs:CrysAlisPRO [1], SHELX [2], [3], WinGX/ORTEP [4]
Table 2:

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

AtomxyzUiso*/Ueq
C1−0.7046 (2)0.1745 (7)0.31907 (12)0.0594 (9)
C2−0.6780 (2)0.0354 (6)0.28376 (13)0.0602 (9)
H2−0.708105−0.1100590.2736260.072*
C3−0.6070 (2)0.1112 (6)0.26339 (13)0.0589 (9)
H3−0.5898470.0167230.2392330.071*
C4−0.5597 (2)0.3285 (6)0.27836 (11)0.0539 (8)
C5−0.5887 (3)0.4639 (6)0.31446 (12)0.0612 (9)
H5−0.5586330.6086820.3252030.073*
C6−0.6605 (3)0.3897 (7)0.33470 (13)0.0643 (9)
H6−0.6788170.4835770.3585690.077*
C7−0.4837 (2)0.4053 (6)0.25641 (11)0.0504 (8)
C8−0.4252 (3)0.5922 (7)0.27169 (13)0.0652 (9)
H8−0.4286700.6941610.2978050.078*
C9−0.3965 (2)0.3726 (6)0.20322 (12)0.0571 (8)
C10−0.4055 (2)0.0842 (7)0.13268 (13)0.0625 (9)
H10−0.417361−0.0534160.1527910.075*
C11−0.3265 (3)0.0202 (7)0.10734 (15)0.0706 (10)
H11A−0.298022−0.1332080.1193020.085*
H11B−0.3479180.0107440.0720810.085*
C12−0.2612 (2)0.2314 (6)0.12162 (12)0.0537 (8)
C13−0.4930 (2)0.1594 (6)0.09792 (12)0.0585 (9)
C14−0.4992 (4)0.3699 (10)0.0719 (2)0.126 (2)
H14−0.4488570.4734210.0764280.151*
C15−0.5785 (4)0.4343 (11)0.0389 (2)0.127 (2)
H15−0.5809330.5779660.0210320.152*
C16−0.6503 (3)0.2909 (10)0.03303 (16)0.0843 (12)
C17−0.6503 (3)0.0951 (11)0.0600 (2)0.119 (2)
H17−0.7028160.0007320.0572660.143*
C18−0.5703 (3)0.0322 (9)0.09273 (19)0.0997 (15)
H18−0.570569−0.1057210.1120330.120*
C19−0.1782 (2)0.2724 (6)0.10361 (11)0.0530 (8)
C20−0.1209 (2)0.4708 (6)0.11898 (13)0.0596 (9)
H20−0.1373620.5845190.1402180.071*
C21−0.0408 (2)0.5014 (7)0.10335 (13)0.0627 (9)
H21−0.0034860.6350800.1138360.075*
C22−0.0160 (2)0.3343 (7)0.07223 (12)0.0606 (9)
C23−0.0705 (3)0.1368 (7)0.05612 (14)0.0730 (10)
H23−0.0532770.0239150.0349740.088*
C24−0.1516 (3)0.1082 (7)0.07185 (13)0.0652 (10)
H24−0.189012−0.0245750.0607870.078*
N1−0.46641 (19)0.2790 (5)0.21664 (9)0.0563 (7)
N2−0.3645 (2)0.2870 (6)0.16439 (11)0.0701 (8)
N3−0.28394 (19)0.3727 (5)0.15408 (10)0.0602 (7)
S1−0.34395 (7)0.61773 (18)0.23686 (4)0.0689 (3)
Br1−0.80516 (3)0.06964 (9)0.34513 (2)0.08368 (18)
Br20.09586 (3)0.37308 (10)0.05165 (2)0.08594 (18)
F1−0.72759 (19)0.3550 (6)0.00048 (11)0.1255 (11)

Source of material

A mixture of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (0.77 g, 2.0 mmol) and 2-bromo-1-(4-bromophenyl)ethanone (0.56 g, 2.0 mmol) in anhydrous ethanol (10 mL) was stirred under reflux for 3 h. The solid obtained on cooling was filtered, washed with cold ethanol, dried, and recrystallized from dimethylformamide to give colourless crystals (86% yield) of the title compound.

Experimental details

All hydrogen atoms were identified in difference Fourier syntheses. The methine, methylene and hydrogens bonded to sp2 C atoms were idealized during refinement using options AFIX 13, AFIX 23 and AFIX 43, respectively in the SHELXL-2018 program [3]. The Uiso values of the hydrogen atoms were set to 1.2Ueq(C).

Comment

Heterocyclic compounds containing both pyrazole and thiazole moieties have many pharmacological and medicinal applications [5], [6], [7], [8], [9], [10]. The syntheses of thiazolyl-pyrazolines are of general interest. They are biologically active and act as antibacterial [11], antifungal [12], and antioxidant [13] agents. The X-ray crystal structures of related compounds have been reported [14], [15], [16], [17].

The asymmetric unit of the title structure consists of one molecule. The molecule comprises bromophenyl (A [C1–C6, Br1], D [C19–C24, Br2]), thiazolyl (B [C7–C9, N1, S1]), pyrazolyl (C [C10–C12, N2, N3]) and fluorophenyl (E[C13–C18, F1]) ring systems. In the molecule, A, B, C and D are almost coplanar with twist angles: A/B = 8.9(2)°, B/C = 11.4(3)° and C/D = 4.0(3)°. The fluorophenyl ring is almost perpendicular to the ABCD plane with a C/E twist angle of 86.07(13)°.

In the crystal, a weak intermolecular C–Br⋯F–C interaction is observed with geometry: Br2⋯F1 = 3.26(2) Å, Br2⋯F1–C16 = 111.5(9)°. In addition, the planar ABCD segments are oriented in an edge-to-face manner to neighbouring molecules related by the 21 screw axis parallel to the b axis with an angle between the least-squares planes through the ABCD segments of 71.8°.

Corresponding author: Gamal A. El-Hiti, Cornea Research Chair, Department of Optometry, College of Applied Medical Sciences, King Saud University, P.O. Box 10219, Riyadh 11433, Saudi Arabia, E-mail:

Funding source: Vice Deanship of Scientific Research Chairs

Acknowledgements

The authors are grateful to the Deanship of Scientific Research, King Saud University for funding through the Vice Deanship of Scientific Research Chairs.

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

  2. Research funding: Vice Deanship of Scientific Research Chairs.

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

References

1. Agilent Technologies. CrysAlis Software System, Version 1.171.35.15; Agilent Technologies UK Ltd: Oxford, UK, 2011.Suche in Google Scholar

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

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

4. Farrugia, L. J. WinGX and ORTEP for Windows: an update. J. Appl. Crystallogr. 2012, 45, 849–854; https://doi.org/10.1107/s0021889812029111.Suche in Google Scholar

5. Abdel-Wahab, B. F., Khidre, R. E., Mohamed, H. A., El-Hiti, G. A. A simple process for the synthesis of novel pyrazolyltriazole and dihydropyrazolylthiazole derivatives as antimicrobial agents. Arab. J. Sci. Eng. 2017, 42, 2441–2448; https://doi.org/10.1007/s13369-017-2530-2.Suche in Google Scholar

6. Abdel–Wahab, B. F., Sediek, A., Mohamed, H. A., Awad, G. E. A. Novel 2-pyrazolin-1-ylthiazoles as potential antimicrobial agents. Lett. Drug Des. Discov. 2013, 10, 111–118; https://doi.org/10.2174/157018013804725143.Suche in Google Scholar

7. Altıntop, M. D., Özdemir, A., Turan-Zitouni, G., Ilgın, S., Atlı, Ö., Demirel, R., Kaplancıklı, Z. A. A novel series of thiazolyl-pyrazoline derivatives: synthesis and evaluation of antifungal activity, cytotoxicity and genotoxicity. Eur. J. Med. Chem. 2015, 92, 342–352; https://doi.org/10.1016/j.ejmech.2014.12.055.Suche in Google Scholar

8. Sever, B., Altıntop, M. D., Radwan, M. O., Özdemir, A., Otsuka, M., Fujita, M., Ciftci, H. I. Design, synthesis and biological evaluation of a new series of thiazolyl-pyrazolines as dual EGFR and HER2 inhibitors. Eur. J. Med. Chem. 2019, 182, 111648; https://doi.org/10.1016/j.ejmech.2019.111648.Suche in Google Scholar

9. Lv, P. C., Li, D. D., Li, Q. S., Lu, X., Xiao, Z. P., Zhu, H. L. Synthesis, molecular docking and evaluation of thiazolyl-pyrazoline derivatives as EGFR TK inhibitors and potential anticancer agents. Bioorg. Med. Chem. Lett. 2011, 21, 5374–5377; https://doi.org/10.1016/j.bmcl.2011.07.010.Suche in Google Scholar

10. Cuartas, V., Robledo, S. M., Vélez, I. D., Crespo, M. D. P., Sortino, M., Zacchino, S., Nogueras, M., Cobo, J., Upegui, Y., Pineda, T., Yepes, L., Insuasty, B. New thiazolyl-pyrazoline derivatives bearing nitrogen mustard as potential antimicrobial and antiprotozoal agents. Arch. Pharm. 2020, 353, e1900351; https://doi.org/10.1002/ardp.201900351.Suche in Google Scholar

11. Salian, V. V., Narayana, B., Sarojini, B. K., Kumar, M. S., Nagananda, G. S., Byrappa, K., Kudva, A. K. Spectroscopic, single crystal X-ray, Hirshfeld, in vitro and in silico biological evaluation of a new series of potent thiazole nucleus integrated with pyrazoline scaffolds. Spectrochim. Acta Part A 2017, 174, 254–271; https://doi.org/10.1016/j.saa.2016.11.046.Suche in Google Scholar

12. Altıntop, M. D., Özdemir, A., Turan-Zitouni, G., Ilgın, S., Atlı, Ö., Demirel, R., Kaplancıklı, Z. A. A novel series of thiazolyl-pyrazoline derivatives: synthesis and evaluation of antifungal activity, cytotoxicity and genotoxicity. Eur. J. Med. Chem. 2015, 92, 342–352; https://doi.org/10.1016/j.ejmech.2014.12.055.Suche in Google Scholar

13. Abdel-Wahab, B. F., Abdel-Gawad, H., Awad, G. E. A., Badria, F. A. Synthesis, antimicrobial, antioxidant, anti-inflammatory, and analgesic activities of some new 3-(2′-thienyl)pyrazole-based heterocycles. Med. Chem. Res. 2012, 21, 1418–1426; https://doi.org/10.1007/s00044-011-9661-x.Suche in Google Scholar

14. Alotaibi, A. A., Abdel-Wahab, B. F., Hegazy, A. S., Kariuki, B. M., El-Hiti, G. A. The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S⋅C3H7NO. Z. Kristallogr. NCS 2020, 235, 915–917; https://doi.org/10.1515/ncrs-2020-0101.Suche in Google Scholar

15. Alotaibi, A. A., Abdel-Wahab, B. F., Hegazy, A. S., Kariuki, B. M., El-Hiti, G. A. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S. Z. Kristallogr. NCS 2020, 235, 897–899; https://doi.org/10.1515/ncrs-2020-0088.Suche in Google Scholar

16. El-Hiti, G. A., Abdel-Wahab, B. F., Baashen, M., Ghabbour, H. A. Crystal structure of 2-(3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-chlorophenyl)thiazole, C26H17ClFN3OS. Z. Kristallogr. NCS 2016, 231, 911–912; https://doi.org/10.1515/ncrs-2016-0004.Suche in Google Scholar

17. El-Hiti, G. A., Abdel-Wahab, B. F., Baashen, M., Hegazy, A. S., Kariuki, B. M. Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2. Z. Kristallogr. NCS 2017, 332, 157–158; https://doi.org/10.1515/ncrs-2016-0208.Suche in Google Scholar

Received: 2020-11-19
Accepted: 2020-12-10
Published Online: 2021-01-08
Published in Print: 2021-03-26

© 2020 Mohammed A. Baashen et al., 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 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
  4. The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
  5. The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
  6. Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
  7. Redetermination of the crystal structure of para-toluidine, C7H9N 
  8. The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
  9. The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
  10. Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
  11. The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
  12. Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4
  13. The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
  14. Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
  15. Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
  16. Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
  17. The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5
  18. The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
  19. Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
  20. The crystal structure of methacholine chloride, C8H18ClNO2
  21. Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2
  22. Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2N:N′)tetrasilver(I)], C7H8Ag2N3O4S
  23. Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
  24. Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
  25. Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
  26. Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms
  27. Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12
  28. Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8
  29. Crystal structure of dichloride-bis(1-propylimidazole-κ1N)zinc(II), C12H20Cl2N4Zn
  30. Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8
  31. Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2
  32. Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″]-phthalato-κ1O-nickel(II)-methanol (1/2), C26H31N5NiO8
  33. Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
  34. Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N)zinc(II), C24H34N6Cl2Zn
  35. The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
  36. Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
  37. Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
  38. Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
  39. The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
  40. The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
  41. The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10
  42. Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
  43. Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
  44. The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
  45. The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
  46. Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
  47. The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
  48. The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
  49. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
  50. The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
  51. The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
  52. The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
  53. Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
  54. Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
  55. Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
  56. Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
  57. Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
  58. Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
  59. The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
  60. The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
  61. The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
  62. The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
https://doi.org/10.1515/ncrs-2020-0605
Creative Commons
BY 4.0

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
  4. The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
  5. The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N
  6. Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
  7. Redetermination of the crystal structure of para-toluidine, C7H9N 
  8. The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
  9. The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
  10. Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
  11. The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
  12. Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4
  13. The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
  14. Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
  15. Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
  16. Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
  17. The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5
  18. The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
  19. Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
  20. The crystal structure of methacholine chloride, C8H18ClNO2
  21. Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2
  22. Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2N:N′)tetrasilver(I)], C7H8Ag2N3O4S
  23. Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5
  24. Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
  25. Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
  26. Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms
  27. Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12
  28. Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8
  29. Crystal structure of dichloride-bis(1-propylimidazole-κ1N)zinc(II), C12H20Cl2N4Zn
  30. Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8
  31. Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2
  32. Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″]-phthalato-κ1O-nickel(II)-methanol (1/2), C26H31N5NiO8
  33. Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
  34. Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1N)zinc(II), C24H34N6Cl2Zn
  35. The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
  36. Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4
  37. Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
  38. Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3N,O,O’)manganese(IV), C22H24Cl2MnN2O8
  39. The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4
  40. The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
  41. The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10
  42. Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4
  43. Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2N,N′)] zirconium(IV), C56H60N8O4Zr
  44. The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
  45. The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
  46. Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3
  47. The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S
  48. The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
  49. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S
  50. The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2
  51. The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
  52. The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
  53. Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn
  54. Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ5N,N′,N′′,N′′′,O]-tris(nitrato-κ2O,O′) cerium(III), C15H16CeN7O10
  55. Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW
  56. Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ4N,N′,N′′,N′′′}-(succinato-κ2O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
  57. Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
  58. Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2
  59. The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
  60. The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
  61. The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2
  62. The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
Jetzt anmelden und 20% sparen
Institutioneller Zugang
Wie funktioniert Authentifizierung?
Haben Sie eine Idee, wie wir unsere Website verbessern können?
Bitte schreiben Sie uns.
© 2025 De Gruyter Brill
Heruntergeladen am 8.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2020-0605/html
Button zum nach oben scrollen