Startseite Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C21H23Cl4I2N3
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Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C21H23Cl4I2N3

  • Xingyu Xu ORCID logo EMAIL logo und Ping Qiu
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

C21H23Cl4I2N3, monoclinic, P21/c (no. 14), a = 26.110(2) Å, b = 9.1149(8) Å, c = 33.793(3) Å, β = 134.138(3)°, V = 5771.8(9) Å3, Z = 8, R gt (F) = 0.0624, wRref(F2) = 0.1525, T = 297.93 K.

CCDC no.: 1967666

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 block
Size: 0.26 × 0.18 × 0.16 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 2.56 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θmax, completeness: 27.5°, 99%
N(hkl)measured, N(hkl)unique, Rint: 35,149, 13,155, 0.048
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 8313
N(param)refined: 581
Programs: Bruker [1], SHELX [2, 3], Olex2 [4]
Table 2:

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

Atom x y z Uiso*/Ueq
I1 −0.10677 (3) 0.23754 (6) 0.00940 (2) 0.04987 (14)
I2 −0.10437 (3) 0.12601 (6) 0.12560 (2) 0.05325 (15)
N1 0.0493 (3) 0.2161 (7) 0.1202 (3) 0.0513 (16)
N2 0.0945 (3) 0.1901 (7) 0.1742 (3) 0.0562 (17)
N3 0.0514 (3) 0.1630 (7) 0.1812 (3) 0.0540 (16)
C1 −0.0203 (4) 0.2056 (9) 0.0940 (3) 0.0481 (18)
C2 −0.0191 (4) 0.1710 (8) 0.1338 (3) 0.0481 (18)
C23 0.0816 (4) 0.1359 (10) 0.2359 (3) 0.060 (2)
C24 0.0910 (5) 0.2526 (11) 0.2658 (3) 0.072 (3)
C25 0.1180 (6) 0.2229 (13) 0.3181 (4) 0.093 (4)
H 0.124197 0.299608 0.339295 0.112*
C26 0.1352 (6) 0.0842 (14) 0.3386 (4) 0.099 (4)
C27 0.1260 (6) −0.0285 (12) 0.3070 (4) 0.091 (3)
HA 0.138873 −0.122986 0.321517 0.109*
C28 0.0986 (6) −0.0076 (12) 0.2551 (4) 0.079 (3)
C29 0.0718 (7) 0.4055 (13) 0.2431 (5) 0.106 (4)
HB 0.091189 0.474305 0.272178 0.159*
HC 0.020855 0.415412 0.214874 0.159*
HD 0.091221 0.424768 0.227770 0.159*
C30 0.1656 (8) 0.0565 (16) 0.3963 (5) 0.132 (5)
HE 0.131718 0.088198 0.397633 0.198*
HF 0.209241 0.110249 0.422952 0.198*
HG 0.174732 −0.046427 0.404512 0.198*
C31 0.0861 (9) −0.1335 (13) 0.2208 (5) 0.128 (5)
HH 0.105049 −0.109959 0.205322 0.192*
HI 0.035844 −0.151868 0.191573 0.192*
HJ 0.109557 −0.219505 0.243423 0.192*
C32 0.0768 (4) 0.2375 (9) 0.0953 (3) 0.0504 (19)
C33 0.0861 (5) 0.3793 (9) 0.0873 (4) 0.061 (2)
C34 0.1066 (4) 0.3954 (11) 0.0585 (4) 0.068 (2)
HK 0.112859 0.489211 0.051637 0.082*
C35 0.1175 (4) 0.2763 (11) 0.0402 (4) 0.063 (2)
C36 0.1091 (4) 0.1380 (10) 0.0509 (4) 0.061 (2)
HL 0.117870 0.057407 0.039461 0.073*
C37 0.0876 (4) 0.1151 (10) 0.0782 (3) 0.058 (2)
C38 0.0758 (6) −0.0383 (10) 0.0874 (5) 0.084 (3)
HM 0.092471 −0.044291 0.123209 0.126*
HN 0.101600 −0.107022 0.085223 0.126*
HO 0.025805 −0.061105 0.059680 0.126*
C39 0.1407 (6) 0.2977 (15) 0.0101 (5) 0.097 (4)
HP 0.160441 0.394171 0.017624 0.146*
HQ 0.100186 0.286742 −0.028800 0.146*
HR 0.176094 0.225728 0.022507 0.146*
C40 0.0747 (6) 0.5116 (11) 0.1069 (5) 0.095 (4)
HS 0.024472 0.528613 0.083058 0.142*
HT 0.096397 0.595708 0.106465 0.142*
HU 0.095980 0.494948 0.143836 0.142*
I3 0.30748 (3) −0.03062 (6) 0.11913 (2) 0.05192 (15)
I4 0.29824 (3) 0.09149 (6) −0.00007 (2) 0.05574 (15)
N4 0.3930 (3) 0.2550 (7) 0.1555 (3) 0.0505 (16)
N5 0.4117 (3) 0.3637 (7) 0.1413 (3) 0.0550 (17)
N6 0.3836 (3) 0.3237 (7) 0.0916 (3) 0.0510 (16)
C3 0.3539 (4) 0.1498 (8) 0.1162 (3) 0.0483 (18)
C4 0.3480 (4) 0.1934 (8) 0.0745 (3) 0.0495 (18)
C5 0.3900 (4) 0.4222 (8) 0.0616 (3) 0.0503 (19)
C6 0.3440 (4) 0.5404 (9) 0.0350 (3) 0.055 (2)
C7 0.3484 (5) 0.6293 (10) 0.0048 (4) 0.065 (2)
HV 0.318071 0.709776 −0.013451 0.078*
C8 0.3970 (5) 0.6022 (11) 0.0009 (4) 0.074 (3)
C9 0.4415 (5) 0.4837 (12) 0.0284 (4) 0.077 (3)
HW 0.474676 0.466643 0.026295 0.092*
C10 0.4395 (5) 0.3888 (11) 0.0589 (4) 0.065 (2)
C11 0.2898 (5) 0.5725 (11) 0.0379 (4) 0.068 (2)
HX 0.258103 0.490393 0.023599 0.103*
HY 0.262862 0.658263 0.016417 0.103*
HZ 0.314066 0.589240 0.075580 0.103*
C12 0.4005 (7) 0.7036 (16) −0.0335 (6) 0.126 (5)
H1 0.384268 0.651329 −0.065172 0.188*
H2 0.448885 0.735025 −0.011467 0.188*
H3 0.370663 0.787608 −0.045215 0.188*
C13 0.4892 (5) 0.2587 (11) 0.0881 (4) 0.084 (3)
H4 0.506811 0.249238 0.124137 0.125*
H5 0.528559 0.272936 0.091501 0.125*
H6 0.463857 0.171168 0.067241 0.125*
C14 0.4174 (4) 0.2636 (8) 0.2094 (3) 0.0488 (18)
C15 0.4875 (4) 0.2241 (9) 0.2552 (3) 0.053 (2)
C16 0.5092 (5) 0.2353 (10) 0.3055 (3) 0.067 (2)
H7 0.555070 0.204441 0.336603 0.080*
C17 0.4666 (5) 0.2900 (11) 0.3121 (4) 0.069 (2)
C18 0.3970 (5) 0.3295 (10) 0.2651 (4) 0.066 (2)
H8 0.367300 0.365196 0.268969 0.079*
C19 0.3704 (4) 0.3172 (9) 0.2123 (3) 0.055 (2)
C20 0.2946 (5) 0.3611 (12) 0.1625 (4) 0.081 (3)
H9 0.294618 0.439346 0.143454 0.121*
H10 0.271626 0.393535 0.173941 0.121*
H11 0.269279 0.278430 0.138233 0.121*
C21 0.5346 (5) 0.1598 (12) 0.2494 (4) 0.082 (3)
H12 0.510672 0.078687 0.224117 0.122*
H13 0.578191 0.126143 0.284665 0.122*
H14 0.545160 0.233126 0.235524 0.122*
C22 0.4919 (6) 0.3099 (16) 0.3678 (4) 0.111 (4)
H15 0.488461 0.218158 0.379792 0.167*
H16 0.462647 0.381727 0.365064 0.167*
H17 0.540601 0.342379 0.393936 0.167*
Cl0Aa 0.2821 (11) 0.402 (2) 0.3111 (6) 0.253 (8)
Cl0Bb 0.2703 (13) 0.303 (3) 0.3067 (6) 0.191 (8)
Cl1Aa 0.3029 (9) 0.1655 (12) 0.3692 (9) 0.252 (7)
Cl1Bb 0.3449 (16) 0.201 (2) 0.4120 (11) 0.230 (10)
Cl2Aa 0.4045 (5) 0.3832 (19) 0.4301 (6) 0.211 (7)
Cl2Bb 0.3766 (12) 0.478 (2) 0.3873 (12) 0.184 (9)
C41 0.3168 (6) 0.3513 (13) 0.3731 (4) 0.139 (6)
H41a 0.288797 0.398577 0.378892 0.166*
H41Ab 0.283813 0.403133 0.372930 0.166*
Cl1 0.22608 (12) −0.2741 (2) 0.11123 (9) 0.0695 (6)
Cl2 0.22992 (12) 0.5660 (3) 0.39428 (9) 0.0665 (6)
Cl3 0.2494 (4) 0.0230 (9) 0.2269 (3) 0.260 (3)
Cl4 0.3009 (5) −0.2689 (10) 0.2677 (4) 0.296 (4)
Cl5 0.3847 (3) −0.0546 (6) 0.2768 (2) 0.1739 (19)
C42 0.3002 (6) −0.1222 (12) 0.2373 (5) 0.127 (5)
H18 0.281935 −0.152412 0.201542 0.153*

  1. aOccupancy: 0.616 (18), bOccupancy: 0.384 (18).

Source of material

1,3-Dimesityl-1,2,3-triazol-3-ium tetrafluoroborate 0.45 g (1 mmol) and potassium tert-butoxide 0.25 g (2.2 mmol) and iodine (510 mg, 2 mmol) were added in a Schlenk tube under dry nitrogen condition, then THF (25 mL) was added at −78 temperature. The mixture was stirred for 10 h. After evaporation of THF, dichloromethane (100 mL) was added and inorganic salts were removed by filtration. The dichloromethane solution and silver tetrafluoroborate 0.20 g (1 mmol) were added in Schlenk tube under nitrogen condition, and then stirred for 3 h under dark condition. Then AgI were removed by filtration, and dichloromethane was removed under reduced pressure. The obtained solid and potassium chloride (0.75 g, 10 mmol) were mixed in acetonitrile (30 mL), then the mixture was stirred for 24 h under air. The acetonitrile was removed under reduced pressure. Dichloromethane (50 mL) was added again and the inorganic salt was removed by filtration. Then the dichloromethane was removed by evaporation to give the final white product. Yield: 78%. Single crystal was obtained under ambient conditions via solvent evaporation in the solvents of chloroform. 1 H NMR (400 MHz, chloroform-d): δ (ppm) 7.05 (s, 4H), 2.39 (s, 6H), 1.98 (s, 12H); 1 13 C NMR (100 MHz, chloroform-d): δ (ppm) 142.9, 134.2, 132.1, 130.1, 113.2, 21.4, 17.4.

Experimental details

Carbon-bound H atoms were placed in calculated positions (C–H 0.95 Å) and were included in the refinement in the riding model approximation, with d(C–H) = 0.98 Å (methyl), Uiso(H) = 1.5 Ueq(C), and 0.95 Å (aromatic), Uiso(H) = 1.2Ueq(C). The disorder of chloroform was refined and RIGU, ISOR, and SADI were applied to restrain the atoms.

Comment

Weak intermolecular interactions play a very important role in the crystal engineering [5]. The most common weak interaction is hydrogen bonding. The halogen bonding interaction has been exploited as construction tool in crystal engineering, anion recognition, supramolecular chemistry, even tuning of biomolecular systems [6]. Competition between halogen and hydrogen bond was studied through polyiodide ion [7]. While both halogen bonding and hydrogen bonding influence the crystal structures [8].

In our previous study, 4,5-diiodo-1,3-dimesityl-1,2,3-triazolium salts are strong halogen bond donors which can form different conformations with different anions [9, 10]. All the crystals were obtained by evaporation of dichloromethane. The hydrogen atom in chloroform shows strong acidity which can be and has been applied to form cocrystals [11].

Single crystal structure analysis revealed that the title compound crystallized in the monoclinic space group P21/c with Z = 8. The title crystal structure does not exist as a tetramer (saddle conformation) but a dimer induced by halogen bond and hydrogen bond. The distances of I···Cl are 2.957(2) (I1···Cl1), 2.954(3) (I3···Cl1), 2.903(4) (I2···Cl2), and 3.020(3) (I4···Cl2). The C–I···Cl angles are 177.5(3) (C1–I1···Cl1), 173.5(3) (C31–I3···Cl1), 175.9(3) (C2–I2···Cl2), and 177.8(3) (C4–I4···Cl2). The reduction ratio RXB [12], defined as the ratio of the actual distance over the sum of van der Waals radii, amounts to 0.77. The hydrogen atoms of chloroform molecule showed hydrogen bonding with the chloride anion. The distance of Cl1···H18 is 2.544 and distance of Cl2···H41 is 2.465. The C–H···Cl angles are 167.8 (C41–H41···Cl2) and 169.0 (C42–H18···Cl1). The anion chloride anion were showed strong halogen bond and hydrogen bond in the crystal structure. Both halogen bonding and hydrogen bonding are around the central chloride anion (see the Figure).

Corresponding author: Xingyu Xu, Department of Chemistry, Xinzhou Teachers University, Xinzhou, Shanxi 034000, P. R. China, E-mail:

Funding source: Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi

Award Identifier / Grant number: STIP 2021L456

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

  2. Research funding: This study was financially supported by Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi (STIP), Grant number: STIP 2021L456.

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

References

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Received: 2021-10-15
Accepted: 2021-11-08
Published Online: 2021-11-22
Published in Print: 2022-02-23

© 2021 Xingyu Xu and Ping Qiu, 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
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  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
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  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-2021-0401
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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-2021-0401/html
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