Startseite The crystal structure of 2-(4-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2
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The crystal structure of 2-(4-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2

  • Václav Eigner ORCID logo EMAIL logo und Roman Holakovský
Veröffentlicht/Copyright: 30. November 2021
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 237 Heft 1

Abstract

C10H17F6N4OPS2, monoclinic, P21/c (no. 14), a = 13.0455(12) Å, b = 12.6114(12) Å, c = 10.7642(10) Å, β = 99.546(8)°, V = 1746.4(3) Å3, Z = 4, Rgt(F) = 0.0425, wRref(F2) = 0.1173, T = 150 K.

CCDC no.: 2120701

The asymmetric unit of the title 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 prism
Size 0.41 × 0.37 × 0.25 mm
Wavelength: Cu Kα radiation (1.5418 Å)
μ: 4.29 mm−1
Diffractometer, scan mode: Xcalibur, ω
θmax, completeness: 77.8°, 99%
N(hkl)measured, N(hkl)unique, Rint: 15,711, 3652, 0.042
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3093
N(param)refined: 261
Programs: CrysAlisPRO [1], SUPERFLIP [2], JANA2006 [3], Diamond [4]
Table 2:

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

Atom x y z Uiso*/Ueq
S1 0.41813 (4) 0.12832 (4) 1.02025 (5) 0.02515 (15)
S2 0.12109 (4) 0.41067 (5) 0.43485 (5) 0.03245 (17)
O1w 0.3599 (2) 0.91493 (19) 0.2163 (3) 0.0612 (9)
N1 0.52470 (14) 0.05921 (15) 1.22986 (16) 0.0252 (5)
N2 0.61464 (15) 0.17645 (17) 1.12547 (18) 0.0308 (5)
N3 0.03372 (15) 0.46666 (18) 0.20929 (18) 0.0318 (5)
N4 −0.06054 (15) 0.34561 (19) 0.30126 (18) 0.0322 (5)
C1 0.34751 (16) 0.25763 (17) 0.82646 (18) 0.0241 (5)
C2 0.28882 (17) 0.34897 (18) 0.83177 (19) 0.0270 (6)
C3 0.20163 (17) 0.36718 (17) 0.7409 (2) 0.0272 (6)
C4 0.17224 (15) 0.29423 (17) 0.64494 (18) 0.0243 (5)
C5 0.22993 (18) 0.20180 (18) 0.64130 (19) 0.0280 (6)
C6 0.31726 (18) 0.18424 (18) 0.7315 (2) 0.0294 (6)
C7 0.44451 (18) 0.2392 (2) 0.9218 (2) 0.0338 (6)
C8 0.53010 (15) 0.12252 (15) 1.13325 (18) 0.0209 (5)
C9 0.07977 (17) 0.3147 (2) 0.5435 (2) 0.0328 (6)
C10 0.02186 (16) 0.40545 (18) 0.30522 (19) 0.0256 (6)
H1c2 0.308437 0.399485 0.898172 0.0324*
H1c3 0.161524 0.4306 0.744467 0.0327*
H1c5 0.209275 0.150221 0.576376 0.0335*
H1c6 0.357174 0.120661 0.728167 0.0353*
H1c7 0.459561 0.301362 0.973066 0.0406*
H2c7 0.501045 0.22124 0.878919 0.0406*
H1c9 0.024192 0.344322 0.580718 0.0393*
H2c9 0.059543 0.249931 0.499397 0.0393*
H1n1a 0.5762 (17) 0.057 (3) 1.291 (2) 0.0303*
H2n1b 0.471 (2) 0.020 (3) 1.231 (4) 0.0303*
H1n2c 0.6680 (16) 0.170 (3) 1.184 (2) 0.0369*
H2n2d 0.617 (3) 0.218 (2) 1.063 (2) 0.0369*
H1n3a −0.012 (2) 0.462 (3) 0.1418 (19) 0.0381*
H2n3e 0.0919 (17) 0.499 (3) 0.212 (4) 0.0381*
H1n4 −0.1101 (18) 0.346 (3) 0.238 (2) 0.0386*
H2n4f −0.073 (3) 0.314 (3) 0.367 (2) 0.0386*
H1o1w 0.337 (4) 0.865 (3) 0.170 (4) 0.0734*
H2o1w 0.337 (4) 0.909 (4) 0.282 (2) 0.0734*
P1ag 0.77735 (9) 0.12491 (10) 0.46082 (11) 0.02217 (15)
F1ag 0.8655 (2) 0.0294 (2) 0.5059 (2) 0.0357 (5)
F2ag 0.6866 (2) 0.21992 (19) 0.4160 (2) 0.0285 (5)
F3ag 0.6816 (2) 0.0345 (3) 0.4402 (3) 0.0358 (6)
F4ag 0.7611 (2) 0.1415 (3) 0.61192 (17) 0.0281 (5)
F5ag 0.7919 (2) 0.1098 (3) 0.30920 (17) 0.0403 (7)
F6ag 0.8708 (2) 0.2162 (2) 0.4827 (3) 0.0410 (6)
P1bh 0.7778 (6) 0.1269 (7) 0.4604 (8) 0.02217 (15)
F1bh 0.8479 (12) 0.0218 (13) 0.5213 (15) 0.0357 (5)
F2bh 0.7052 (12) 0.2323 (13) 0.4001 (16) 0.0285 (5)
F3bh 0.6671 (12) 0.0628 (13) 0.4723 (16) 0.0358 (6)
F4bh 0.7817 (11) 0.1768 (15) 0.6066 (9) 0.0281 (5)
F5bh 0.7724 (11) 0.0789 (15) 0.3135 (9) 0.0403 (7)
F6bh 0.8866 (12) 0.1927 (13) 0.4498 (15) 0.0410 (7)

  1. aOccupancy: 0.90(6), bOccupancy: 0.73(6), cOccupancy: 0.96(6), dOccupancy: 0.87(6), eOccupancy: 0.81(6), fOccupancy: 0.82(15), gOccupancy: 0.883(10), hOccupancy: 0.117(10).

Source of material

The solution of thiourea (0.63 g, 8.33 mmol) in ethanol (50 mL) was heated to reflux. To this solution 1,4-bis(bromomethyl)benzene (1.00 g, 3.78 mmol) was added. The heating continued for 50 min, then the mixture was allowed to cool to room temperature. The resulting crystals were filtered off, washed with hexane and dried under reduced pressure resulting in yield of 1.34 g (85%) of 2,2′-(1,4-phenylenebis(methylene))diisothiouronium bromide. The reaction product was dissolved in water and mixed with water solution containing an equimolar amount of silver hexafluorophosphate; the resulting AgBr was filtered off. The filtrate was allowed to slowly evaporate, forming crystals of the title compound.

Experimental details

H atoms bonded to C were placed in calculated positions. H bonded to N and O were refined with restrained bond lengths (N—H = 0.86 Å, O—H = 0.82 Å). Uiso(H) = 1.2Ueq(C,N,O). The H bonded to N of S-alkylthiourea and isothiouronium groups are disordered with only H1n4 fully localized occupancies of remaining hydrogen atoms were refined with a sum constrained to 6 to keep the electroneutrality of crystal structure. The hexafluorophosphate anion was found to be disordered over two positions. Molecular refinement without any restraints was used to model the disorder (see Table 2).

Comment

Thiourea derivatives are used in anion complexation for their ability to form hydrogen bonds in a specific prearranged manner [5]. Recently their cytostatic potential was studied with promising results [6].

The crystal structure of the title compound is depicted in the figure. The asymmetric unit consists of one 2-(4-((carbamimidoylthio)methyl)benzyl)isothiouronium cation, one hexafluorophosphate anion and one molecule of water. Significant differences were observed between the C—S bond lengths with C(meth)—S bond at 1.821(3) and 1.825(3) Å and C(iso)—S bond at 1.7405(19) and 1.740(2) Å. This difference is caused by electron delocalization within the isothiouronium groups. However, the delocalization is not complete, since very small differences between C—N bond lengths remain with the C—N(s-cis) bonds at 1.310(3) and 1.308(3) Å and C—N(s-trans) at 1.322(3) and 1.319(3) Å.

The crystal structure packing is controlled by hydrogen bonds, with isothiouronium groups forming seven N—H ⋅ ⋅ ⋅ F hydrogen bonds and one N—H ⋅ ⋅ ⋅ O hydrogen bond. The molecule of crystal water forms two O—H ⋅ ⋅ ⋅ F hydrogen bonds, connecting two hexafluorophosphate anions.

Corresponding author: Václav Eigner, Institute of Physics AS CR, v.v.i. Na Slovance 2, 182 21 Prague 8, Czech Republic, E-mail:

Funding source: Czech Science Foundation

Award Identifier / Grant number: 20–14770Y

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

  2. Research funding: This research was supported by the project 20–14770Y of the Czech Science Foundation and The University of Chemistry and Technology, Prague.

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

References

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3. Petricek, V., Dusek, M., Palatinus, L. Crystallographic computing system JANA2006: general features. Z. Kristallogr. – Cryst. Mater. 2014, 229, 345–352.10.1515/zkri-2014-1737Suche in Google Scholar

4. Brandenburg, K. Diamond; Crystal Impact GbR: Bonn, Germany, 1999.Suche in Google Scholar

5. Leung, A. N., Degenhardt, D. A., Bühlmann, P. Effect of spacer geometry on oxoanion binding by bis- and tetrakis-thiourea hosts. Tetrahedron 2008, 64, 2530–2536; https://doi.org/10.1016/j.tet.2008.01.026.Suche in Google Scholar

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Received: 2021-10-25
Accepted: 2021-11-08
Published Online: 2021-11-30
Published in Print: 2022-02-23

© 2021 Václav Eigner and Roman Holakovský, 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. Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-3-yl)methylene)-3, 4-dihydronaphthalen-1(2H)-one, C17H15NO3
  4. Crystal structure of (E)-7-methoxy-2-((2-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1 (2H)-one, C18H17NO3
  5. The crystal structure of N 6,N 6′-di(pyridin-2-yl)-[2,2′-bipyridine]-6,6′-diamine, C20H16N6
  6. The crystal structure of {N 1,N 2-bis[2,4-dimethyl-6-(4-(tert-butyl)phenyl)(phenyl)methyl]acenaphthylene-1,2-diimino-κ2 N, N′}-dibromido-nickel(II) – dichloromethane(1/2), C64H64Br2Cl4N2Ni
  7. Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ1 P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C25.71H32.57N9.86O15P3S3Ru3
  8. A new polymorph of 1-(4-nitrophenyl)-1H-benzimidazole (C13H9N3O2)
  9. The crystal structure of 2,2′-((1E,1′E)-(naphthalene-2,3 diylbis(azanylylidene)) bis(methanylylidene))bis(4-methylphenol), C26H22N2O2
  10. The crystal structure of bis(μ2-iodido)-bis(η6-benzene)-bis(iodido)-diosmium(II), C12H12I4Os2
  11. Redetermination of the crystal structure of bis{hydridotris(3,5-dimethylpyrazol-1-yl-κN 3)borato}copper(II), C30H44B2CuN12
  12. Crystal structure of (E)-3-((4-(tert-butyl)phenyl)thio)-4-hydroxypent-3-en-2-one, C15H20O2S
  13. Crystal structure of 2,2′-(p-tolylazanediyl)bis(1-phenylethan-1-one), C23H21NO2
  14. Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ3-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C72H48I12N24Zn6⋅10(C6H5NO2)
  15. Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(6-methylpyridin-2-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C44H45N5O2
  16. Crystal structure of (E)-7-fluoro-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O1
  17. Crystal structure of tetrabutylammonium sulfanilate – 1-(diaminomethylene)thiourea (1/2)
  18. Crystal structure of [2,2′-{azanediyl)bis[(propane-3,1-diyl)(azanylylidene)methylylidene]} bis(3,5-dichlorophenolato)-κ2O,O′]-isothiocyanato-κN-iron(III), C21H19Cl4FeN4O2S
  19. Crystal structure of (4-chlorophenyl)(4-hydroxyphenyl)methanone, C13H9ClO2
  20. Crystal structure of 6,6′-((pentane-1,3-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dibromolphenolato-κ4 N,N′,O,O′)copper(II),) C19H16Br4CuN2O2
  21. Chlorido-(2,2′-(ethane-bis(5-methoxyphenolato))-κ4 N,N′,O,O′)manganese(III) monohydrate, C19H18Cl2CuN2O2
  22. Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C22H28O2
  23. Crystal structure of [6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato)-κ4N,N′,O,O′]copper(II)
  24. Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C30H20O4N2Cl2S2
  25. Crystal structure of bis{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl)borato-κN 3}manganese(II), C30H26B2F18MnN12
  26. Crystal structure of 1-(2-methylphenyl)-2-(2-methylbenzo[b]thienyl)-3,3,4,4,5,5-hexafluorocyclopent-ene, C21H14F6S
  27. Crystal structure of 2-(3-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2
  28. Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C21H23Cl4I2N3
  29. Crystal structure of azido-k1 N-{6,6′-((((methylazanediyl)bis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dibromophenolato)k5 N,N′,N″,O,O′}cobalt(III)-methanol (1/1)), C21H23Br4CoN6O3
  30. The crystal structure of 2-(4-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2
  31. Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C9H14F12N4P2
  32. Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(pyren-1-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C54H48N4O2
  33. Crystal structure of poly[bis(μ2-2,6-bis(1-imidazoly)pyridine-κ2 N,N′)-bis(thiocyanato-κ1 N)copper(II)] dithiocyanate, C24H18CuN12S2
  34. Cones with a three-fold symmetry constructed from three hydrogen bonded theophyllinium cations that coat [FeCl4]− anions in the crystal structure of tris(theophyllinium) bis(tetrachloridoferrate(III)) chloride trihydrate, C21H33Cl9Fe2N12O9
  35. Crystal structure of 14-O-[(4-(4-hydroxypiperidine-1-yl)-6-methylpyrimidine-2-yl)thioacetyl]-mutilin monohydrate, C32H49N3O6S
  36. The crystal structure of (E)-3-chloro-2-(2-(4-methylbenzylidene)hydrazinyl)pyridine, C13H12ClN3
  37. The crystal structure of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinylidene]butanoic acid, C16H15N3O3
  38. The crystal structure of 6-amino-5-carboxypyridin-1-ium pentaiodide monohydrate C6H9I5N2O3
  39. Crystal structure of bis(μ3-oxido)-bis(μ2-2-formylbenzoato-k2O:O′)-bis(2-(dimethoxymethyl)-benzoato-κO)-oktakismethyl-tetratin(IV)
  40. Crystal structure of 2-((E)-(((E)-2-hydroxy-4-methylbenzylidene) hydrazineylidene)methyl)-4-methylphenol, C16H16N2O2
  41. Crystal structure of (E)-amino(2-((5-methylfuran-2-yl)methylene)hydrazinyl) methaniminium nitrate monohydrate, C14H26N10O10
  42. The crystal structure of N′-(2-chloro-6-hydroxybenzylidene)thiophene-2-carbohydrazide monohydrate, C12H11ClN2O3S
  43. Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2N:N′)-bis(4-bromobenzoate-κ1O)zinc(II)], C64H44Br4N8O8Zn2
  44. The crystal structure of catena-poly[(1-(4-carboxybenzyl)pyridin-1-ium-4-carboxylato-κ1O)-(μ2-oxalato-κ4 O:O′:O″:O‴)dioxidouranium(VI)], C16H11NO10U
  45. Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-phenylfuran, C22H21BrO2
  46. Halogen bonds in the crystal structure of 4,3′:5′,4″-terpyridine — 1,3-diiodotetrafluorobenzene (1/1), C21H11F4I2N3
  47. Crystal structure of 2-(1H-indol-3-yl)ethan-1-aminium 2-(4-acetylphenoxy)acetate, C20H22N2O4
  48. Chalcogen bonds in the crystal structure of 4,7-dibromo-2,1,3-benzoselenadiazole, C6H2Br2N2Se
  49. The crystal structure of 1,4-bis((1H-benzimidazol-2-yl)methyl)-piperazine-2,5-dione dihydrate, C20H22N6O4
  50. The crystal structure of C19H20O8
  51. The crystal structure of KNa3Te8O18·5H2O exhibiting a ∞2[Te4O9]2− layer
  52. Erratum
  53. Erratum to: Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
https://doi.org/10.1515/ncrs-2021-0417
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-3-yl)methylene)-3, 4-dihydronaphthalen-1(2H)-one, C17H15NO3
  4. Crystal structure of (E)-7-methoxy-2-((2-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1 (2H)-one, C18H17NO3
  5. The crystal structure of N 6,N 6′-di(pyridin-2-yl)-[2,2′-bipyridine]-6,6′-diamine, C20H16N6
  6. The crystal structure of {N 1,N 2-bis[2,4-dimethyl-6-(4-(tert-butyl)phenyl)(phenyl)methyl]acenaphthylene-1,2-diimino-κ2 N, N′}-dibromido-nickel(II) – dichloromethane(1/2), C64H64Br2Cl4N2Ni
  7. Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ1 P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C25.71H32.57N9.86O15P3S3Ru3
  8. A new polymorph of 1-(4-nitrophenyl)-1H-benzimidazole (C13H9N3O2)
  9. The crystal structure of 2,2′-((1E,1′E)-(naphthalene-2,3 diylbis(azanylylidene)) bis(methanylylidene))bis(4-methylphenol), C26H22N2O2
  10. The crystal structure of bis(μ2-iodido)-bis(η6-benzene)-bis(iodido)-diosmium(II), C12H12I4Os2
  11. Redetermination of the crystal structure of bis{hydridotris(3,5-dimethylpyrazol-1-yl-κN 3)borato}copper(II), C30H44B2CuN12
  12. Crystal structure of (E)-3-((4-(tert-butyl)phenyl)thio)-4-hydroxypent-3-en-2-one, C15H20O2S
  13. Crystal structure of 2,2′-(p-tolylazanediyl)bis(1-phenylethan-1-one), C23H21NO2
  14. Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ3-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C72H48I12N24Zn6⋅10(C6H5NO2)
  15. Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(6-methylpyridin-2-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C44H45N5O2
  16. Crystal structure of (E)-7-fluoro-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O1
  17. Crystal structure of tetrabutylammonium sulfanilate – 1-(diaminomethylene)thiourea (1/2)
  18. Crystal structure of [2,2′-{azanediyl)bis[(propane-3,1-diyl)(azanylylidene)methylylidene]} bis(3,5-dichlorophenolato)-κ2O,O′]-isothiocyanato-κN-iron(III), C21H19Cl4FeN4O2S
  19. Crystal structure of (4-chlorophenyl)(4-hydroxyphenyl)methanone, C13H9ClO2
  20. Crystal structure of 6,6′-((pentane-1,3-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dibromolphenolato-κ4 N,N′,O,O′)copper(II),) C19H16Br4CuN2O2
  21. Chlorido-(2,2′-(ethane-bis(5-methoxyphenolato))-κ4 N,N′,O,O′)manganese(III) monohydrate, C19H18Cl2CuN2O2
  22. Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C22H28O2
  23. Crystal structure of [6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato)-κ4N,N′,O,O′]copper(II)
  24. Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C30H20O4N2Cl2S2
  25. Crystal structure of bis{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl)borato-κN 3}manganese(II), C30H26B2F18MnN12
  26. Crystal structure of 1-(2-methylphenyl)-2-(2-methylbenzo[b]thienyl)-3,3,4,4,5,5-hexafluorocyclopent-ene, C21H14F6S
  27. Crystal structure of 2-(3-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2
  28. Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C21H23Cl4I2N3
  29. Crystal structure of azido-k1 N-{6,6′-((((methylazanediyl)bis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dibromophenolato)k5 N,N′,N″,O,O′}cobalt(III)-methanol (1/1)), C21H23Br4CoN6O3
  30. The crystal structure of 2-(4-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2
  31. Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C9H14F12N4P2
  32. Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(pyren-1-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C54H48N4O2
  33. Crystal structure of poly[bis(μ2-2,6-bis(1-imidazoly)pyridine-κ2 N,N′)-bis(thiocyanato-κ1 N)copper(II)] dithiocyanate, C24H18CuN12S2
  34. Cones with a three-fold symmetry constructed from three hydrogen bonded theophyllinium cations that coat [FeCl4]− anions in the crystal structure of tris(theophyllinium) bis(tetrachloridoferrate(III)) chloride trihydrate, C21H33Cl9Fe2N12O9
  35. Crystal structure of 14-O-[(4-(4-hydroxypiperidine-1-yl)-6-methylpyrimidine-2-yl)thioacetyl]-mutilin monohydrate, C32H49N3O6S
  36. The crystal structure of (E)-3-chloro-2-(2-(4-methylbenzylidene)hydrazinyl)pyridine, C13H12ClN3
  37. The crystal structure of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinylidene]butanoic acid, C16H15N3O3
  38. The crystal structure of 6-amino-5-carboxypyridin-1-ium pentaiodide monohydrate C6H9I5N2O3
  39. Crystal structure of bis(μ3-oxido)-bis(μ2-2-formylbenzoato-k2O:O′)-bis(2-(dimethoxymethyl)-benzoato-κO)-oktakismethyl-tetratin(IV)
  40. Crystal structure of 2-((E)-(((E)-2-hydroxy-4-methylbenzylidene) hydrazineylidene)methyl)-4-methylphenol, C16H16N2O2
  41. Crystal structure of (E)-amino(2-((5-methylfuran-2-yl)methylene)hydrazinyl) methaniminium nitrate monohydrate, C14H26N10O10
  42. The crystal structure of N′-(2-chloro-6-hydroxybenzylidene)thiophene-2-carbohydrazide monohydrate, C12H11ClN2O3S
  43. Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2N:N′)-bis(4-bromobenzoate-κ1O)zinc(II)], C64H44Br4N8O8Zn2
  44. The crystal structure of catena-poly[(1-(4-carboxybenzyl)pyridin-1-ium-4-carboxylato-κ1O)-(μ2-oxalato-κ4 O:O′:O″:O‴)dioxidouranium(VI)], C16H11NO10U
  45. Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-phenylfuran, C22H21BrO2
  46. Halogen bonds in the crystal structure of 4,3′:5′,4″-terpyridine — 1,3-diiodotetrafluorobenzene (1/1), C21H11F4I2N3
  47. Crystal structure of 2-(1H-indol-3-yl)ethan-1-aminium 2-(4-acetylphenoxy)acetate, C20H22N2O4
  48. Chalcogen bonds in the crystal structure of 4,7-dibromo-2,1,3-benzoselenadiazole, C6H2Br2N2Se
  49. The crystal structure of 1,4-bis((1H-benzimidazol-2-yl)methyl)-piperazine-2,5-dione dihydrate, C20H22N6O4
  50. The crystal structure of C19H20O8
  51. The crystal structure of KNa3Te8O18·5H2O exhibiting a ∞2[Te4O9]2− layer
  52. Erratum
  53. Erratum to: Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
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Heruntergeladen am 9.11.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2021-0417/html?lang=de
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