Startseite Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C22H28O2
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Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C22H28O2

  • Wei Guo ORCID logo , Pengda Zhai EMAIL logo , Xiaofan Bai , Nan Li , Haixia Wu , Zhihui Zhang und Jingyu He ORCID logo EMAIL logo
Veröffentlicht/Copyright: 22. 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

C22H28O2, orthorhombic, Pna21 (No. 33), a = 12.0841(9) Å, b = 16.6946(12) Å, c = 9.3837(8) Å, β = 90°, V = 1893.1(3) Å3, Z = 4, R gt (F) = 0.0497, wR ref (F 2) = 0.1057, T = 220 K.

CCDC no.: 2114824

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: Yellow block
Size: 0.12 × 0.1 × 0.08 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.07 mm−1
Diffractometer, scan mode: SuperNova, ω-scans
θ max, completeness: 29.4°, >99%
N(hkl)measured, N(hkl)unique, R int: 8174, 3760, 0.035
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 2949
N(param)refined: 224
Programs: CrysAlis PRO [1], SHELX [2], OLEX2 [3], DIAMOND [4]
Table 2:

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

x y z U iso*/U eq
O2 0.76425 (14) 0.44539 (9) 0.38948 (18) 0.0475 (4)
O1 0.21883 (13) 0.81449 (10) 0.84953 (18) 0.0481 (4)
C9 0.62481 (16) 0.66207 (12) 0.4710 (2) 0.0312 (5)
C17 0.76142 (16) 0.58373 (13) 0.3363 (2) 0.0307 (5)
C11 0.65543 (16) 0.52348 (12) 0.5462 (2) 0.0289 (5)
C16 0.72901 (17) 0.51250 (13) 0.4212 (2) 0.0319 (5)
C22 0.70948 (17) 0.65346 (13) 0.3635 (2) 0.0337 (5)
C5 0.47242 (18) 0.75093 (12) 0.5711 (2) 0.0356 (5)
C10 0.60748 (16) 0.59511 (12) 0.5654 (2) 0.0309 (5)
C18 0.84886 (18) 0.57461 (13) 0.2189 (2) 0.0366 (5)
C2 0.2988 (2) 0.79013 (13) 0.7560 (3) 0.0379 (5)
C12 0.63383 (17) 0.45253 (12) 0.6465 (2) 0.0329 (5)
C3 0.30653 (18) 0.71352 (13) 0.7012 (2) 0.0381 (5)
C7 0.3746 (2) 0.84817 (13) 0.7160 (3) 0.0424 (6)
C4 0.39264 (17) 0.69507 (13) 0.6091 (2) 0.0374 (5)
C6 0.45920 (19) 0.82901 (13) 0.6239 (3) 0.0415 (6)
C8 0.56737 (17) 0.73216 (13) 0.4806 (3) 0.0370 (5)
C13 0.5648 (2) 0.47827 (15) 0.7746 (3) 0.0491 (7)
C20 0.95435 (19) 0.53590 (15) 0.2783 (3) 0.0509 (7)
C14 0.57030 (19) 0.38670 (13) 0.5662 (3) 0.0470 (6)
C21 0.8817 (2) 0.65613 (15) 0.1572 (3) 0.0519 (7)
C15 0.74335 (19) 0.41809 (14) 0.7052 (3) 0.0451 (6)
C19 0.8022 (2) 0.52323 (16) 0.0972 (3) 0.0518 (7)
C1 0.1457 (2) 0.75519 (15) 0.9049 (3) 0.0542 (7)
H10 0.56081 (16) 0.60190 (12) 0.6433 (2) 0.0371 (6)*
H22 0.72913 (17) 0.69829 (13) 0.3104 (2) 0.0404 (6)*
H4 0.39704 (17) 0.64360 (13) 0.5716 (2) 0.0449 (7)*
H3 0.25464 (18) 0.67477 (13) 0.7258 (2) 0.0458 (7)*
H7 0.3683 (2) 0.90001 (13) 0.7513 (3) 0.0509 (7)*
H6 0.50871 (19) 0.86868 (13) 0.5961 (3) 0.0498 (7)*
H8 0.59179 (17) 0.77340 (13) 0.4219 (3) 0.0444 (6)*
H13a 0.6022 (7) 0.5206 (7) 0.8244 (10) 0.0737 (10)*
H13b 0.4939 (6) 0.4970 (9) 0.7426 (3) 0.0737 (10)*
H13c 0.5548 (12) 0.4335 (3) 0.8374 (9) 0.0737 (10)*
H20a 0.9842 (8) 0.5690 (5) 0.3526 (13) 0.0763 (10)*
H20b 0.9370 (3) 0.4840 (5) 0.3161 (17) 0.0763 (10)*
H20c 1.0079 (6) 0.5305 (9) 0.2033 (5) 0.0763 (10)*
H14a 0.5006 (7) 0.4075 (3) 0.5339 (16) 0.0705 (9)*
H14b 0.6130 (7) 0.3693 (7) 0.4857 (11) 0.0705 (9)*
H14c 0.5576 (12) 0.3422 (4) 0.6288 (6) 0.0705 (9)*
H21a 0.8183 (4) 0.6807 (5) 0.1138 (16) 0.0778 (10)*
H21b 0.9089 (13) 0.6899 (4) 0.2323 (4) 0.0778 (10)*
H21c 0.9385 (10) 0.64889 (18) 0.0869 (13) 0.0778 (10)*
H15a 0.7884 (6) 0.3997 (9) 0.6276 (3) 0.0676 (9)*
H15b 0.7822 (7) 0.4591 (3) 0.7567 (15) 0.0676 (9)*
H15c 0.7276 (2) 0.3741 (7) 0.7680 (14) 0.0676 (9)*
H19a 0.7842 (13) 0.4709 (4) 0.1327 (5) 0.0777 (10)*
H19b 0.7367 (8) 0.5481 (5) 0.0598 (12) 0.0777 (10)*
H19c 0.8565 (6) 0.5186 (9) 0.0230 (8) 0.0777 (10)*
H1a 0.0981 (10) 0.7364 (8) 0.8302 (5) 0.0813 (11)*
H1b 0.1880 (2) 0.7112 (5) 0.9419 (17) 0.0813 (11)*
H1c 0.1018 (11) 0.7781 (3) 0.9798 (13) 0.0813 (11)*

Source of material

All chemicals, and solvents are of analytical grade and are commercially available. In a Dean-Stark apparatus, a solution of 2,6-di-tert-butylphenol (0.1 mmol; 1.0 eq) and 4-methoxy benzaldehyde (0.1 mmol; 1.0 eq) in toluene (0.25 m) was heated at 145 °C. Piperidine (2 eq) was added within 3 h and heating under reflux was continued for 14 h. Acetic anhydride was added and stirring was continued for 15 min. The reaction mixture was poured on ice-water and extracted with ethyl acetate (25 mL × 3). The combined organic phases were dried over Mg2SO4, and the solvent was removed under reduced pressure. The organic phase was evaporated to dryness, and the residue was purified by column chromatography to obtain the desired product as a yellow solid with a yield of 90.3%. 1HNMR (500 MHz, CDCl3) δ 7.56 (d, J = 2.5 Hz, 1H), 7.47 – 7.42 (m, 2H), 7.13 (s, 1H), 7.02 – 6.95 (m, 3H), 3.88 (s, 3H), 1.32 (d, J = 7.9 Hz, 18H). Crystals were grown in methanol at room temperature.

Experimental details

Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms.

Discussion

P-Methylenebenzaldehyde is an important derivative with a unique structure in organic chemistry change to P-Methylene benzoquinone is an important derivative with a unique structure in organic chemistry [5]. Since it is easily polarized into an ionic form [6], it is very active [7]. It is generally believed that there is an electron-withdrawing group or aromatic ring compound on the seventh carbon outside the ring [8], and there are very large substituents around the group that stabilize the p-methylene henaldehyde [9]. This kind of compound was first reported in 1903 [10]. Functionalized p-QMs units are found in many natural products, p-QMs are also active intermediates in many chemicals, drugs, and biological reactions [11–13]. Many similar crystal structures have been reported [14], [15], [16], [17]. The structure of the title compound was elucidated by spectroscopic methods (NMR) and X-ray diffraction.

The title compound is a non-planar molecule (see the figure) with all bond lengths and angles in the crystal structure within the normal range [14], [15], [16], [17]. In addition, the dihedral angle between the benzene ring plane (C9–C10–C11–C16–C17–C22) and the cyclohexadiene plane (C2–C3–C4–C5–C6–C7) is 33.3° (77). The bond lengths of C12–C13, C12–C14, C12–C15C and C18–C19, C18–C20, C18–C21, respectively, are 1.525(3), 1.538(3), 1.545(3) and 1.536(3), 1.534(3), 1.531(3) Å.

Corresponding authors: Pengda Zhai, College of Chemical and Pharmaceutical Engineering, Hebei University of Science and Technology, 26 Yuxiang Street, Yuhua District, Shijiazhuang 050018, P. R. China, E-mail: ; and Jingyu He, School of Chemical Engineering, Shijiazhuang University, No. 6, Changjiang Avenue, Shijiazhuang High-Tech Development Zone, Shijiazhuang 050035, P. R. China, E-mail:

Funding source: Natural Science Foundation of Hebei Province http://dx.doi.org/10.13039/501100003787

Award Identifier / Grant number: (B2016208054)

Funding source: Doctoral Research Foundation of Shijiazhuang University

Award Identifier / Grant number: (20BS014)

  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 supported by the Natural Science Foundation of Hebei Province (B2016208054) and Supported by the Doctoral Research Foundation of Shijiazhuang University (20BS014).

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

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Received: 2021-10-12
Accepted: 2021-11-05
Published Online: 2021-11-22
Published in Print: 2022-02-23

© 2021 Wei Guo 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. 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-2021-0394
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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 20.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2021-0394/html
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