Startseite The crystal structure of 4,4′-diselanediylbis(8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile), C46H60N6O2Se2
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The crystal structure of 4,4′-diselanediylbis(8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile), C46H60N6O2Se2

  • Xin-Yue Xu , Xiao-Bo Huang und Deng-Ze Wu ORCID logo EMAIL logo
Veröffentlicht/Copyright: 31. Januar 2022
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 237 Heft 2

Abstract

C46H60N6O2Se2, triclinic, P 1 ‾ (no. 2), a = 10.4701(7) Å, b = 10.6331(7) Å, c = 20.4665(14) Å, α = 92.079(2)°, β = 97.937(2)°, γ = 95.848(2)°, V = 2242.0(3) Å3, Z = 2, R gt (F) = 0.0487, wR ref (F2) = 0.1183, T = 293(2) K.

CCDC no.: 2122344

The molecular structure is shown in the Figure (Hydrogen atoms are omitted for clarity). 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: Red prismatic
Size: 0.16 × 0.13 × 0.10 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 1.69 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
θmax, completeness: 25.5°, >99%
N(hkl)measured, N(hkl)unique, Rint: 22,203, 8296, 0.046
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 5396
N(param)refined: 566
Programs: Bruker [1], SHELX [2, 3], Diamond [4]
Table 2:

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

Atom x y z Uiso*/Ueq
Se1 0.05978 (4) 0.62847 (4) 0.22989 (2) 0.05821 (15)
Se2 0.14856 (4) 0.70435 (4) 0.33767 (2) 0.05218 (15)
O1 0.5998 (3) 0.7304 (3) 0.09844 (13) 0.0533 (7)
O2 0.0805 (3) 0.1629 (3) 0.48349 (15) 0.0573 (8)
N1 0.3575 (3) 0.4411 (3) 0.17419 (16) 0.0492 (8)
N2 0.5986 (5) 1.0485 (4) 0.0715 (2) 0.0953 (15)
N3 0.5664 (3) 0.4950 (3) 0.15481 (16) 0.0480 (8)
N4 0.3563 (3) 0.4107 (3) 0.40291 (17) 0.0506 (9)
N5 −0.2423 (4) 0.1623 (4) 0.5104 (2) 0.0720 (12)
N6 0.3027 (3) 0.1998 (3) 0.41680 (17) 0.0489 (9)
C1 0.2430 (4) 0.4697 (4) 0.1904 (2) 0.0504 (10)
C2 0.2146 (4) 0.5927 (4) 0.19630 (19) 0.0462 (10)
C3 0.3005 (4) 0.6916 (4) 0.17560 (18) 0.0439 (10)
C4 0.2682 (4) 0.8173 (4) 0.1709 (2) 0.0523 (11)
H4 0.1929 0.8377 0.1862 0.063*
C5 0.3428 (4) 0.9096 (4) 0.1449 (2) 0.0551 (11)
C6 0.4563 (4) 0.8772 (4) 0.1215 (2) 0.0510 (11)
C7 0.4913 (4) 0.7559 (4) 0.12499 (19) 0.0455 (10)
C8 0.4181 (4) 0.6606 (4) 0.15508 (18) 0.0410 (9)
C9 0.4469 (4) 0.5304 (4) 0.16242 (18) 0.0446 (10)
C10 0.1545 (5) 0.3564 (4) 0.2048 (3) 0.0794 (16)
H10A 0.1802 0.2813 0.1852 0.119*
H10B 0.0668 0.3665 0.1865 0.119*
H10C 0.1601 0.3494 0.2517 0.119*
C11 0.3042 (5) 1.0423 (4) 0.1383 (3) 0.0821 (16)
H11A 0.3672 1.1007 0.1656 0.123*
H11B 0.2207 1.0460 0.1522 0.123*
H11C 0.3002 1.0644 0.0931 0.123*
C12 0.5374 (5) 0.9705 (5) 0.0926 (2) 0.0641 (13)
C13 0.6837 (4) 0.5644 (4) 0.1927 (2) 0.0578 (12)
H13A 0.6683 0.6515 0.2014 0.069*
H13B 0.7548 0.5649 0.1669 0.069*
C14 0.7201 (4) 0.5046 (4) 0.2567 (2) 0.0640 (13)
H14A 0.6524 0.5118 0.2841 0.077*
H14B 0.7996 0.5499 0.2797 0.077*
C15 0.7394 (5) 0.3659 (5) 0.2466 (2) 0.0744 (14)
H15A 0.8124 0.3584 0.2228 0.089*
H15B 0.7579 0.3291 0.2890 0.089*
C16 0.6175 (5) 0.2959 (4) 0.2076 (2) 0.0678 (13)
H16A 0.6323 0.2092 0.1976 0.081*
H16B 0.5473 0.2942 0.2341 0.081*
C17 0.5796 (4) 0.3597 (4) 0.1442 (2) 0.0571 (12)
H17A 0.6447 0.3506 0.1154 0.069*
H17B 0.4979 0.3174 0.1219 0.069*
C18 0.5761 (5) 0.6874 (6) 0.0303 (2) 0.0862 (15)
H18A 0.5501 0.7556 0.0030 0.103*
H18B 0.5070 0.6182 0.0233 0.103*
C19 0.6973 (6) 0.6443 (7) 0.0122 (3) 0.1076 (15)
H19A 0.7167 0.5717 0.0376 0.129*
H19B 0.6813 0.6155 −0.0340 0.129*
C20 0.8094 (6) 0.7342 (8) 0.0217 (3) 0.1279 (17)
H20A 0.8271 0.7632 0.0679 0.153*
H20B 0.7919 0.8068 −0.0041 0.153*
C21 0.9324 (7) 0.6796 (8) 0.0015 (4) 0.1472 (19)
H21A 0.9561 0.6139 0.0311 0.177*
H21B 0.9110 0.6407 −0.0428 0.177*
C22 1.0402 (7) 0.7711 (9) 0.0031 (4) 0.164 (2)
H22A 1.0627 0.8087 0.0476 0.197*
H22B 1.0159 0.8377 −0.0258 0.197*
C23 1.1583 (7) 0.7192 (9) −0.0177 (4) 0.174 (3)
H23A 1.1808 0.6506 0.0093 0.261*
H23B 1.2295 0.7849 −0.0125 0.261*
H23C 1.1395 0.6891 −0.0632 0.261*
C24 0.3215 (4) 0.5257 (4) 0.3856 (2) 0.0480 (10)
C25 0.1938 (4) 0.5506 (3) 0.37558 (19) 0.0426 (9)
C26 0.0974 (4) 0.4621 (3) 0.39697 (18) 0.0387 (9)
C27 −0.0306 (3) 0.4893 (4) 0.39952 (18) 0.0405 (9)
H27 −0.0567 0.5633 0.3817 0.049*
C28 −0.1181 (4) 0.4118 (4) 0.42706 (18) 0.0409 (9)
C29 −0.0766 (4) 0.3005 (4) 0.45485 (19) 0.0429 (9)
C30 0.0484 (4) 0.2695 (4) 0.45285 (19) 0.0439 (10)
C31 0.1357 (4) 0.3449 (3) 0.42020 (19) 0.0406 (9)
C32 0.2663 (4) 0.3192 (4) 0.41250 (19) 0.0434 (9)
C33 0.4337 (4) 0.6208 (4) 0.3765 (3) 0.0770 (16)
H33A 0.5131 0.5926 0.3970 0.116*
H33B 0.4224 0.7012 0.3966 0.116*
H33C 0.4370 0.6292 0.3302 0.116*
C34 −0.2535 (4) 0.4443 (4) 0.4304 (2) 0.0537 (11)
H34A −0.3147 0.3819 0.4048 0.081*
H34B −0.2631 0.5260 0.4131 0.081*
H34C −0.2692 0.4457 0.4756 0.081*
C35 −0.1655 (4) 0.2218 (4) 0.4868 (2) 0.0519 (11)
C36 0.2207 (4) 0.0904 (4) 0.3827 (2) 0.0565 (12)
H36A 0.1322 0.1110 0.3727 0.068*
H36B 0.2208 0.0196 0.4113 0.068*
C37 0.2696 (5) 0.0533 (4) 0.3193 (2) 0.0663 (13)
H37A 0.2597 0.1204 0.2888 0.080*
H37B 0.2177 −0.0226 0.2991 0.080*
C38 0.4113 (5) 0.0290 (5) 0.3316 (3) 0.0789 (15)
H38A 0.4205 −0.0439 0.3583 0.095*
H38B 0.4413 0.0109 0.2898 0.095*
C39 0.4925 (4) 0.1444 (4) 0.3669 (2) 0.0682 (13)
H39A 0.5816 0.1261 0.3778 0.082*
H39B 0.4914 0.2146 0.3380 0.082*
C40 0.4403 (4) 0.1807 (4) 0.4294 (2) 0.0569 (11)
H40A 0.4519 0.1147 0.4605 0.068*
H40B 0.4895 0.2581 0.4494 0.068*
C41a 0.1771 (9) 0.1764 (8) 0.5413 (4) 0.0840 (19)
H41Aa 0.1965 0.2656 0.5546 0.101*
H41Ba 0.2561 0.1463 0.5300 0.101*
C42a 0.1385 (9) 0.1087 (8) 0.5963 (4) 0.0886 (18)
H42Aa 0.1131 0.0204 0.5824 0.106*
H42Ba 0.0638 0.1432 0.6102 0.106*
C43a 0.2499 (9) 0.1175 (13) 0.6558 (5) 0.100 (2)
H43Aa 0.3297 0.0987 0.6402 0.120*
H43Ba 0.2636 0.2029 0.6755 0.120*
C44b 0.2169 (12) 0.0248 (12) 0.7074 (6) 0.117 (2)
H44Ab 0.1820 −0.0553 0.6844 0.141*
H44Bb 0.2975 0.0107 0.7344 0.141*
C45b 0.1298 (13) 0.0560 (14) 0.7504 (7) 0.125 (3)
H45Ab 0.0472 0.0601 0.7229 0.150*
H45Bb 0.1593 0.1417 0.7678 0.150*
C46b 0.0999 (15) −0.0211 (14) 0.8100 (6) 0.127 (4)
H46Ab 0.1382 −0.0993 0.8086 0.190*
H46Bb 0.0077 −0.0389 0.8083 0.190*
H46Cb 0.1352 0.0268 0.8503 0.190*
C41′c 0.0908 (17) 0.157 (3) 0.5515 (7) 0.097 (4)
H41Cc 0.0276 0.0912 0.5624 0.117*
H41Dc 0.0713 0.2372 0.5702 0.117*
C42′c 0.2265 (17) 0.131 (3) 0.5819 (9) 0.104 (4)
H42Cc 0.2919 0.1973 0.5733 0.124*
H42Dc 0.2477 0.0501 0.5656 0.124*
C43′c 0.213 (2) 0.130 (3) 0.6564 (11) 0.111 (4)
H43Cc 0.3013 0.1300 0.6781 0.133*
H43Dc 0.1888 0.2134 0.6665 0.133*
C44′d 0.1350 (16) 0.0450 (19) 0.6963 (8) 0.116 (4)
H44Cd 0.1215 −0.0395 0.6753 0.140*
H44Dd 0.0506 0.0750 0.6964 0.140*
C45′d 0.2002 (16) 0.0379 (19) 0.7688 (8) 0.122 (4)
H45Cd 0.2839 0.0052 0.7727 0.146*
H45Dd 0.2052 0.1166 0.7949 0.146*
C46′d 0.088 (2) −0.061 (2) 0.7811 (10) 0.131 (5)
H46Dd 0.0153 −0.0184 0.7904 0.196*
H46Ed 0.1164 −0.1094 0.8180 0.196*
H46Fd 0.0622 −0.1168 0.7425 0.196*

  1. aOccupancy: 0.7, bOccupancy: 0.6, cOccupancy: 0.3, dOccupancy: 0.4

Source of material

The title compound was prepared from the reaction of an intermediate 8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile, which was obtained according to the published method [5], and selenium dioxide. The mixture of the intermediate (1.0 mmol), selenium dioxide (3.0 mmol), and xylene (15.0 mL) was stirred for 12 h at 100 °C. After the reaction solution was cooled to room temperature, the mixture was extracted with dichloromethane. After removing the solvent under reduced pressure, the crude product was purified by column chromatography using petroleum ether and ethyl acetate as the eluent to obtain the target product in 62% yield as light yellow solid. Crystals were obtained by slow evaporation from a mixture of ethyl acetate and petroleum ether.

Experimental details

H atoms bonded to C were positioned geometrically and refined using a riding model, with Uiso(H) = 1.5 Ueq(C) for methyl H atoms and 1.2 Ueq(C) for all other H atoms.

Comment

Isoquinoline is an important structural motif in the construction of various compounds with biological activities in pharmaceutical chemistry [6, 7]. In recent years, some isoquinoline derivatives have been also found to be used as solid-state fluorescence sensors for pressure, organic steam, and acid gas [8], [9], [10]. It should be pointed out that intermolecular interactions and stacking arrangements in crystalline state are found to play an important role in the solid-state stimulus-responsive fluorescent materials [11]. Thus, the synthesis and crystal structures of novel isoquinoline derivatives have received increasing attention [12, 13].

In the title compound, the pyridine ring and benzene ring in isoquinoline unit are not completely coplanar because of the existence of the piperidine and hexyloxy groups, a finding which is similar to previous reports in [8, 9]. Furthermore, two isoquinoline rings in molecule form in a “Z” shape and thus no π-π stacking is formed. The molecules are stabilized by a weak C36–H36B⃛N5 (2.564 Å) hydrogen bond, a C34–H34B⃛H41A (2.299 Å) interaction, an a weak C37–H37B⃛Se2 (3.078 Å) bond. The interaction between the N atom on the cyano unit and Se2 results in a distance of 3.346 Å. As a result, the molecules form a zigzag stacking mode with a reverse parallel arrangement between the upper and lower levels.

Corresponding author: Deng-Ze Wu, College of Chemistry and Materials Engineering, Wenzhou University, Chashan University, Town Wenzhou, Zhejiang Province, 325035, People’s Republic of China, E-mail:

Funding source: Wenzhou University

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

  2. Research funding: We acknowledge the financial support from Wenzhou University for the publication fee.

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

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Received: 2021-11-29
Accepted: 2022-01-15
Published Online: 2022-01-31
Published in Print: 2022-04-26

© 2021 Xin-Yue Xu 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 {2,2′-{cyclohexane-1,2-diylbis[(azanylylidene)methylylidene]}bis(2,4-dibromophenolato)-κ4 N,N′,O,O′}copper(II) ─ diethylformamide (1/1), C23H23Br4CuN3O3
  4. The crystal structure of 2-(2-methyl-6-phenyl-4H-pyran-4-ylidene)-1H-indene-1,3(2H)-dione, C21H14O3
  5. Crystal structure of bis((1-methylbenzimidazol-2-yl)methyl)amine, C18H19N5
  6. Crystal structure of (E)-N′-(1-(2-hydroxy-4-methoxyphenyl)ethylidene) isonicotinohydrazide, C15H15N3O3
  7. Crystal structure of 2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile, C15H11N5S
  8. The crystal structure of 2,2′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene))bis(4-chlorophenol), C14H10Cl2N2O2
  9. Dichlorido-{2,6-bis(4,5-dihydro-1H-pyrazol-3-yl)pyridine-κ3 N,N′,N″}zinc(II), C11H9C12N5Zn
  10. The crystal structure of dichlorido-(2-((4-phenyl-2H-1,2,3-triazol-2-yl)methyl)pyridine-κ2N,N′)palladium(II), C14H12Cl2N4Pd
  11. The crystal structure of 1-(N1-benzyl-2-methyl-4-nitro-imidazol-5-yl)-4-(prop-2-yn-1-yl) piperazine, C18H21N5O2
  12. Crystal structure of (μ4-(1,2,4,5-tetra(1,2,4-triazol-1-ylmethyl)-benzene-κ4N:N1:N2:N3)disilver(I) diperchlorate
  13. The crystal structure of 1-(2-bromoethane)-4-amine-3,5-dinitropyrazole, C5H6Br1N5O4
  14. Crystal structure of (E)-1-(4-benzyl-3,5-dioxomorpholin-2-ylidene)ethyl acetate, C15H15N1O5
  15. The crystal structure of poly[diaqua-(μ2-1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ2N:N′)-bis(μ3-terephthalato-κ3O:O′:O′′)dicadmium(II)], C17H15N6O5Cd
  16. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)thiophene-2-carbohydrazide, C13H11ClN2O2S
  17. The crystal structure of [(2,2′-bipyridine-k2 N,N)-bis(6-phenylpyridine-2-carboxylato-k2 N,O)cobalt(II)]-monohydrate, C36H26N4O5Co
  18. Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-3-hydroxybenzo-hydrazide monohydrate, C14H13ClN2O4
  19. Crystal structure of 1,1′-(methylene)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2S:S)nickel(II), C42H30N14Ni2S8
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C20H14N6NiS4
  21. The crystal structure of 1-methyl-1H-pyrazol-2-ium nitrate, C4H7O3N3
  22. The crystal structure of 4,4′-diselanediylbis(8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile), C46H60N6O2Se2
  23. The crystal structure of tris(6-methylpyridin-2-yl)phosphine selenide, C18H18N3PSe
  24. The crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane ─ acetone (1/1), C11H12N8O9
  25. Crystal structure of [diaqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ4N,N′,O,O′]nickel(II)] tetrahydrate, C16H12N4NiO10·4H2O
  26. The crystal structure of tris(4-methyl-1H-pyrazol-1-yl)methane, C13H16N6
  27. The crystal structure of 5,6-dichloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H8Cl2N2O2
  28. Crystal structure of (E)-(2-methoxy-benzylidene)-(4-[1,2,4]triazol-1-yl-phenyl)-amine, C16H14N4O
  29. The crystal structure of (Z)-2-(4-(4-bromophenyl)thiazol-2-yl)-4-(3-hydroxybut-2-enoyl)-5-methyl -1,2-dihydro-3H-pyrazol-3-one – methanol (1/1), C18H18N3O4S
  30. Crystal structure of tetraaqua-tris(nitrato-κ2 O,O′) erbium(III) monohydrate, Er(NO3)3·5H2O, H10ErN3O14
  31. The crystal structure of 1-methyl-2-nitro-1H-imidazole 3-oxide, C4H5N3O3
  32. The crystal structure of 1-methyl-2-nitroimidazole, C4H5N3O2
  33. The crystal structure of 2-carboxyl-4-nitroimidazole monohydrate, C4H5N3O5
  34. Crystal structure of bis[hydrido-hexaphenylcarbodiphosphoran][tetra-trifluoromethyl-(μ-diiodo)-diplatinat]
  35. The crystal structure of poly[μ2-aqua- aqua-(μ3-(E)-2-(4-((2-carbamothioylhydrazineylidene)methyl)phenoxy)acetato-κ3 O:S:S)sodium(I)], C10H14N3O5SNa
  36. The twinned crystal structure of [4,4′-bipyridine]-1,1′-diium hexachloridostannate(IV), C10H10N2SnCl6
  37. The crystal structure of [(2,2′-bipyridine-k2 N,N)-bis(6-phenylpyridine-2-carboxylate-k2 N,O)copper(II)], C34H24N4O4Cu
  38. Crystal structure of trans-1,2-bis(pyridinium-4-yl) ethylene bis(2-carboxy-4-bromobenzoate) – water (1/4), C14H14BrNO6
  39. Crystal structure of poly[diaqua-(μ3-fumarato)-(μ3-maleato)-(μ4-1,2,4,5-tetrakis((1H-1,2,4-triazol-1-yl)methyl)benzene)tetracadmium(II)] dihydrate, C34H32N12O9Cd4
  40. Crystal structure of a second modification of Pachypodol, C18H16O7
  41. Crystal structure of methyl 2-(4-(2-(cyclopentyl-amino)-1-(N-(4-methoxyphenyl)-1-methyl-5-phenyl-1-H-pyrazole-3-carboxamido)-2-oxoethyl)phenyl)acetate, C34H36N4O5
  42. The crystal structure of catena-poly[(m2-4,4′-bipyridine-κ2 N:N)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O) zinc(II)], C34H24N4O4Zn
  43. The crystal structure of hexaquamagnesium(II) (2,4-bis(nitroimino)-6-oxo-1,3,5-triazinane-1,3-diide), C3H15MgN7O12
  44. The crystal structure of 7-Bromo-2-(4-chloro-phenyl)-quinoxaline, C14H9BrClN2
  45. Crystal structure of methyl 4-{[4-(4-cyanobenzamido)phenyl]amino}benzofuro[2,3-d]pyrimidine-6-carboxylate, C26H17N5O4
  46. The crystal structure of (4SR)-7-(3,4-dichlorobenzyl)-4,8,8-trimethyl-7,8-dihydroimidazo[5,1c][1,2,4]triazine-3,6(2H,4H)-dione, C15H16Cl2N4O2
  47. Crystal structure of catena-poly[{μ2-3-carboxy-2,3-bis((4-methylbenzoyl)oxy)propanoato-κ2 O:O′}tris(methanol-κ1 O)lanthanum(III)], C63H63LaO27
https://doi.org/10.1515/ncrs-2021-0456
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Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of {2,2′-{cyclohexane-1,2-diylbis[(azanylylidene)methylylidene]}bis(2,4-dibromophenolato)-κ4 N,N′,O,O′}copper(II) ─ diethylformamide (1/1), C23H23Br4CuN3O3
  4. The crystal structure of 2-(2-methyl-6-phenyl-4H-pyran-4-ylidene)-1H-indene-1,3(2H)-dione, C21H14O3
  5. Crystal structure of bis((1-methylbenzimidazol-2-yl)methyl)amine, C18H19N5
  6. Crystal structure of (E)-N′-(1-(2-hydroxy-4-methoxyphenyl)ethylidene) isonicotinohydrazide, C15H15N3O3
  7. Crystal structure of 2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile, C15H11N5S
  8. The crystal structure of 2,2′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene))bis(4-chlorophenol), C14H10Cl2N2O2
  9. Dichlorido-{2,6-bis(4,5-dihydro-1H-pyrazol-3-yl)pyridine-κ3 N,N′,N″}zinc(II), C11H9C12N5Zn
  10. The crystal structure of dichlorido-(2-((4-phenyl-2H-1,2,3-triazol-2-yl)methyl)pyridine-κ2N,N′)palladium(II), C14H12Cl2N4Pd
  11. The crystal structure of 1-(N1-benzyl-2-methyl-4-nitro-imidazol-5-yl)-4-(prop-2-yn-1-yl) piperazine, C18H21N5O2
  12. Crystal structure of (μ4-(1,2,4,5-tetra(1,2,4-triazol-1-ylmethyl)-benzene-κ4N:N1:N2:N3)disilver(I) diperchlorate
  13. The crystal structure of 1-(2-bromoethane)-4-amine-3,5-dinitropyrazole, C5H6Br1N5O4
  14. Crystal structure of (E)-1-(4-benzyl-3,5-dioxomorpholin-2-ylidene)ethyl acetate, C15H15N1O5
  15. The crystal structure of poly[diaqua-(μ2-1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ2N:N′)-bis(μ3-terephthalato-κ3O:O′:O′′)dicadmium(II)], C17H15N6O5Cd
  16. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)thiophene-2-carbohydrazide, C13H11ClN2O2S
  17. The crystal structure of [(2,2′-bipyridine-k2 N,N)-bis(6-phenylpyridine-2-carboxylato-k2 N,O)cobalt(II)]-monohydrate, C36H26N4O5Co
  18. Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-3-hydroxybenzo-hydrazide monohydrate, C14H13ClN2O4
  19. Crystal structure of 1,1′-(methylene)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2S:S)nickel(II), C42H30N14Ni2S8
  20. Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C20H14N6NiS4
  21. The crystal structure of 1-methyl-1H-pyrazol-2-ium nitrate, C4H7O3N3
  22. The crystal structure of 4,4′-diselanediylbis(8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile), C46H60N6O2Se2
  23. The crystal structure of tris(6-methylpyridin-2-yl)phosphine selenide, C18H18N3PSe
  24. The crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane ─ acetone (1/1), C11H12N8O9
  25. Crystal structure of [diaqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ4N,N′,O,O′]nickel(II)] tetrahydrate, C16H12N4NiO10·4H2O
  26. The crystal structure of tris(4-methyl-1H-pyrazol-1-yl)methane, C13H16N6
  27. The crystal structure of 5,6-dichloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H8Cl2N2O2
  28. Crystal structure of (E)-(2-methoxy-benzylidene)-(4-[1,2,4]triazol-1-yl-phenyl)-amine, C16H14N4O
  29. The crystal structure of (Z)-2-(4-(4-bromophenyl)thiazol-2-yl)-4-(3-hydroxybut-2-enoyl)-5-methyl -1,2-dihydro-3H-pyrazol-3-one – methanol (1/1), C18H18N3O4S
  30. Crystal structure of tetraaqua-tris(nitrato-κ2 O,O′) erbium(III) monohydrate, Er(NO3)3·5H2O, H10ErN3O14
  31. The crystal structure of 1-methyl-2-nitro-1H-imidazole 3-oxide, C4H5N3O3
  32. The crystal structure of 1-methyl-2-nitroimidazole, C4H5N3O2
  33. The crystal structure of 2-carboxyl-4-nitroimidazole monohydrate, C4H5N3O5
  34. Crystal structure of bis[hydrido-hexaphenylcarbodiphosphoran][tetra-trifluoromethyl-(μ-diiodo)-diplatinat]
  35. The crystal structure of poly[μ2-aqua- aqua-(μ3-(E)-2-(4-((2-carbamothioylhydrazineylidene)methyl)phenoxy)acetato-κ3 O:S:S)sodium(I)], C10H14N3O5SNa
  36. The twinned crystal structure of [4,4′-bipyridine]-1,1′-diium hexachloridostannate(IV), C10H10N2SnCl6
  37. The crystal structure of [(2,2′-bipyridine-k2 N,N)-bis(6-phenylpyridine-2-carboxylate-k2 N,O)copper(II)], C34H24N4O4Cu
  38. Crystal structure of trans-1,2-bis(pyridinium-4-yl) ethylene bis(2-carboxy-4-bromobenzoate) – water (1/4), C14H14BrNO6
  39. Crystal structure of poly[diaqua-(μ3-fumarato)-(μ3-maleato)-(μ4-1,2,4,5-tetrakis((1H-1,2,4-triazol-1-yl)methyl)benzene)tetracadmium(II)] dihydrate, C34H32N12O9Cd4
  40. Crystal structure of a second modification of Pachypodol, C18H16O7
  41. Crystal structure of methyl 2-(4-(2-(cyclopentyl-amino)-1-(N-(4-methoxyphenyl)-1-methyl-5-phenyl-1-H-pyrazole-3-carboxamido)-2-oxoethyl)phenyl)acetate, C34H36N4O5
  42. The crystal structure of catena-poly[(m2-4,4′-bipyridine-κ2 N:N)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O) zinc(II)], C34H24N4O4Zn
  43. The crystal structure of hexaquamagnesium(II) (2,4-bis(nitroimino)-6-oxo-1,3,5-triazinane-1,3-diide), C3H15MgN7O12
  44. The crystal structure of 7-Bromo-2-(4-chloro-phenyl)-quinoxaline, C14H9BrClN2
  45. Crystal structure of methyl 4-{[4-(4-cyanobenzamido)phenyl]amino}benzofuro[2,3-d]pyrimidine-6-carboxylate, C26H17N5O4
  46. The crystal structure of (4SR)-7-(3,4-dichlorobenzyl)-4,8,8-trimethyl-7,8-dihydroimidazo[5,1c][1,2,4]triazine-3,6(2H,4H)-dione, C15H16Cl2N4O2
  47. Crystal structure of catena-poly[{μ2-3-carboxy-2,3-bis((4-methylbenzoyl)oxy)propanoato-κ2 O:O′}tris(methanol-κ1 O)lanthanum(III)], C63H63LaO27
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Heruntergeladen am 9.11.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2021-0456/html
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