Startseite Crystal structure of 2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c′]dicarbazole, C38H38Br2N2
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Crystal structure of 2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c′]dicarbazole, C38H38Br2N2

  • Ying Feng , Wei Guo , Zhi Liu EMAIL logo , Xinyu Luo , Dingchao Zhang , Li Li und Zhenhao Hu
Veröffentlicht/Copyright: 30. Juni 2018
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 233 Heft 5

Abstract

C38H38Br2N2, triclinic, P1̄, a = 8.2069(11) Å, b = 11.9435(15) Å, c = 16.817(2) Å, α = 90.119(1)°, β = 97.992(1)°, γ = 106.995(1)°, V = 1559.5(4) Å3, Z = 2, Rgt(F) = 0.0300, wRref(F2) = 0.1025, T = 130(2) K.

CCDC no.: 1849968

The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Yellow block
Size:0.57 × 0.50 × 0.20 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:2.63 mm−1
Diffractometer, scan mode:Bruker APEX-II CCD, φ and ω
θmax, completeness:27.3°, 99%
N(hkl)measured, N(hkl)unique, Rint:17971, 6960, 0.034
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 6065
N(param)refined:381
Programs:Bruker [1], SHELX [2]
Table 2:

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

AtomxyzUiso*/Ueq
Br10.91687(3)0.697859(17)0.794856(11)0.03158(8)
Br21.08164(3)1.378099(18)0.412577(12)0.03921(9)
N10.67921(19)0.89855(14)1.06870(8)0.0242(3)
N20.76968(18)1.03001(12)0.64792(8)0.0198(3)
C10.4626(4)0.6257(2)1.41650(14)0.0494(6)
H1A0.36350.60001.37590.074*
H1B0.42590.62781.46810.074*
H1C0.53040.57241.41660.074*
C20.5701(3)0.74752(18)1.39896(11)0.0311(4)
H2A0.50470.80221.40420.037*
H2B0.67290.77121.43870.037*
C30.6228(2)0.75463(16)1.31570(10)0.0268(4)
H3A0.69200.70211.31120.032*
H3B0.52020.72791.27610.032*
C40.7242(2)0.87695(16)1.29675(10)0.0250(4)
H4A0.82580.90361.33700.030*
H4B0.65430.92901.30120.030*
C50.7814(2)0.88774(17)1.21358(10)0.0260(4)
H5A0.85050.96771.20810.031*
H5B0.85320.83701.20900.031*
C60.6295(2)0.85508(17)1.14542(10)0.0253(4)
H6A0.58170.77051.14040.030*
H6B0.54040.88731.15870.030*
C70.7004(2)1.01186(16)1.04650(10)0.0224(3)
C80.7574(2)1.02761(15)0.97023(10)0.0195(3)
C90.7802(2)1.13914(15)0.93551(10)0.0195(3)
C100.8063(2)1.16469(15)0.85298(10)0.0189(3)
C110.7609(2)1.07529(14)0.79208(9)0.0180(3)
H110.70920.99790.80350.022*
C120.7940(2)1.10390(14)0.71513(10)0.0184(3)
C130.7056(2)0.90330(14)0.64624(10)0.0207(3)
H13A0.73950.87670.69870.025*
H13B0.75950.87140.60760.025*
C140.5118(2)0.85520(17)0.62457(13)0.0300(4)
H14A0.47890.87060.56900.036*
H14B0.45720.89540.65790.036*
C150.4475(3)0.72346(17)0.63609(13)0.0319(4)
H15A0.52950.68710.61950.038*
H15B0.33890.69100.60120.038*
C160.4218(3)0.69167(16)0.72254(12)0.0307(4)
H16A0.52710.72970.75840.037*
H16B0.33140.72100.73760.037*
C170.3744(3)0.56068(18)0.73291(14)0.0407(5)
H17A0.27300.52310.69460.049*
H17B0.46770.53280.71980.049*
C180.3387(4)0.5226(2)0.81608(14)0.0491(6)
H18A0.43690.56090.85490.074*
H18B0.31640.43920.81810.074*
H18C0.24010.54360.82800.074*
C190.7291(2)0.83904(16)1.01061(10)0.0225(3)
C200.7813(2)0.91555(15)0.94882(10)0.0190(3)
C210.8482(2)0.87274(15)0.88654(10)0.0209(3)
H210.89310.92150.84690.025*
C220.8455(2)0.75719(16)0.88572(10)0.0248(4)
C230.7871(3)0.68139(17)0.94493(12)0.0308(4)
H230.78550.60340.94110.037*
C240.7314(2)0.72274(17)1.00966(11)0.0287(4)
H240.69640.67461.05130.034*
C250.7687(2)1.23239(16)0.98529(10)0.0244(4)
C260.7106(2)1.21017(17)1.06084(11)0.0283(4)
H260.69831.27201.09080.034*
C270.6724(2)1.10153(17)1.09112(10)0.0260(4)
H270.62921.08751.13960.031*
C280.8185(2)1.35001(16)0.95954(11)0.0288(4)
H280.81241.41030.99300.035*
C290.8738(2)1.37594(16)0.88841(11)0.0282(4)
H290.91861.45390.87620.034*
C300.8644(2)1.28421(15)0.83106(10)0.0216(3)
C310.8989(2)1.31044(15)0.75271(10)0.0225(3)
H310.94211.38810.73950.027*
C320.8689(2)1.22152(15)0.69523(10)0.0199(3)
C330.8927(2)1.21716(15)0.61180(10)0.0203(3)
C340.9666(2)1.30189(15)0.56011(10)0.0234(3)
H341.00981.38060.57680.028*
C350.9734(2)1.26465(16)0.48328(11)0.0248(4)
C360.9092(2)1.14791(16)0.45597(11)0.0255(4)
H360.91631.12690.40360.031*
C370.8350(2)1.06309(15)0.50653(10)0.0230(3)
H370.79030.98490.48870.028*
C380.8290(2)1.09768(14)0.58478(10)0.0198(3)

Source of material

2,12-Dibromo-5,15-dihexyl-5,15-dihydrobenzo[1,2-b:5,6-c′] dicarbazole: The solution of (E)-1,2-bis(6-bromo-9-hexyl-9H-carbazol-3-yl)ethene [3] (0.45 mmol, 0.308 g) and I2 (0.46 mmol, 0.118 g) in benzene (500 mL) was stirring under an argon atmosphere for 30 min. After adding propylene oxide (18 mL), the mixture was irradiated by a Hanovia high-pressure mercury lamp (500 W) through a quartz filter for 8 minutes. The reaction solution was concentrated under vacuum. The residue was purified by column chromatography using dichloromethane-petroleum ether (volume ratio: 1: 5) on silica gel and recrystallized in dichloromethane and hexane mixed solution to give title compound (0.251 g, 81.7%). 1H NMR (300 MHz, CDCl3, 25 °C, TMS): δ = 9.27 (s, 1H), 9.15 (d, J = 1.5, 1H), 8.62 (s, 1H), 8.39 (d, J = 1.8 Hz, 1H), 7.94 (dd, J = 6.2 Hz, 2H), 7.72 (t, J = 8.4 Hz, 2H), 7.65−7.59 (m, 2H), 7.47 (d, J = 8.7; 1H), 7.35 (d, J = 8.7, 1H), 4.53−4.45 (m, 4H); 2.02−1.87 (m, 4H); 1.50−1.34 (m, 3H); 1.31−1.12 (m, 9H); 0.89 (t, J = 7.1, 3H); 0.73 (t, J = 7.1, 3H); 13C NMR (75 MHz, CDCl3, 25 °C, TMS): δ = 140.85, 140.06, 139.07, 138.38, 128.86, 128.13, 127.42, 127.27, 126.98, 126.80, 126.74, 125.12, 124.89, 124.66, 123.96, 123.94, 123.12, 122.77, 118.65, 115.51, 110.92, 110.15, 110.11, 109.51, 109.26, 105.33, 43.27, 42.94, 31.08, 30.78, 28.63, 28.35, 26.50, 26.36, 22.06, 22.02, 13.50, 13.40 p.p.m.; HRMS (MALDI-TOF): m/z: calcd for C38H38Br2N2: 680.1; found: 681.7.

Experimental details

H atoms in C—H bonds were constrained with C—H = 0.93−0.97 Å and Uiso(H) = 1.2−1.5 Ueq(C).

Comment

The title compound is a carbazole-based diaza[7]helicene. The twisted configuration of a helicene can not only shorten the π-system but also be beneficial for relieving close-packing interactions and fluorescence quenching in the solid-state [4]. Helicenes have the potential for various applications, such as enantioselective fluorescent sensors [5], nonlinear optics [6] and emitters in OLEDs [7]. Recently, carbazole-based helicenes have attracted the attention owing to good electroluminescent properties [7, 8] . In order to develop excellent electroluminescent materials, the Br-substituted title compound was synthesized successfully through photocyclization since the bonding energy of C—Br is weaker than that of C—H and Br substituents are easily replaced by other functional substituents [9].

The title molecule possesses a 6−5−6−6−6−5−6 skeleton. The helix and the molecular structure of title compound, as characterized by selected intramolecular distances and angles, is similar to those of carbazole-based diaza[7]helicene [7]. In the central ring (Cg(4)), C—C bond lengths range from 1.409(2) Å to 1.453(2) Å and bond angles are within 117.13(15)−121.89(16)°, indicating it is a six-membered aromatic ring with distorted bond lengths and angles at positions of C9 and C28. Angles between the best planes of ring 4 and 3, and ring 4 and 5 are 9.23 and 11.32° respectively. The Br1—C22—C35—Br2 torsion angle is 63.7°, exhibiting the title molecule to be twisted. The dihedral angle between two carbazole sections of the molecule is 25.00 (3)° (cf. the left part of the figure).

The title molecules are staggered and packed in “π-stacked” columns in a face-to-face manner extending along the crystallographic a-axis. Within the stack, continuous molecules are related via inversion centers, leading to strong π-π interactions between rings of neighboring molecules. In addition, two kinds of C—H⋯π interactions between two adjacent molecules are related by the inversion operation within a column. There are four such stacks at corners of the unit cell viewed in bc-plane (cf. the right part of the figure). Along the crystallographic b-axis, unefficient packing of the hexyl groups result in many voids (517.82 Å, 32.0% of the cell volume). Neighboring columns are closely packed along the c-axis. Each molecule of a column possesses two contacts (Br(1)⋯Br(2)i = 3.6053, symmetry code: (i) − x, − y, 1 − z). These Br⋯Br distances can be classified as weak halogen bonding integrations with another heterochiral one in the neighboring column.

Funding source: Natural Science Foundation of Shandong Province

Award Identifier / Grant number: ZR2015EM006

Funding statement: The research was supported by the Natural Science Foundation of Shandong Province (No. ZR2015EM006).

References

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Sheldrick, G. M.: Crystal structure refinement with SHELXL. Acta Crystallogr. C71 (2015) 3–8.10.1107/S2053229614024218Suche in Google Scholar

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Received: 2018-03-27
Accepted: 2018-06-18
Published Online: 2018-06-30
Published in Print: 2018-08-28

©2018 Ying Feng et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Artikel in diesem Heft

  1. Cover and Frontmatter
  2. Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo-pyran, C18H16N4O6
  3. Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2N,N′)cadmium(II)], C100H60N12O16Cd4
  4. Crystal structure of 2-amino-4-(3,4,5-trimethoxy-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C19H18N2O6
  5. Crystal structure of 1-{4-[(2-hydroxy-5-methyl benzylidene)amino]phenyl}ethanone O-ethyl-oxime, C18H20N2O2
  6. Crystal structure of bis{4-methyl-2-((E)-((4-((E)-1-(ethoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O)}copper(II), C36H38CuN4O4
  7. Crystal structure of bis{5-methoxy-2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}nickel(II), C34H34N4NiO6
  8. Crystal structure of poly[μ8-3-carboxyphthalat-κ8-O:O1,O1,O1:O2:O3,O3:O4)silver(I)], C9H4Ag2O6
  9. Crystal structure of 2-((E)-((4-((E)-1-(hydroxyimino)ethyl)phenyl)iminio)methyl)-5-methoxyphenolate, C16H16N2O3
  10. Crystal structure of (E)-1-(4-(((E)-2-hydroxy-3-methoxybenzylidene)amino)phenyl)ethan-1-one oxime, C16H16N2O3
  11. The crystal structure of 2-(tert-butyl)-4-chloro-6-phenyl-1,3,5-triazine, C13H14Cl1N3
  12. Crystal structure of (6,6′-(((((2-aminoethyl)azanediyl)bis(ethane-2,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dichlorophenolato)-κ6N,N′,N′′,N′′′,O,O′)cadmium(II) – ethanol – water (1/1/1), C22H28CdCl4N4O4
  13. Crystal structure of 6-chloro-N-methylpyrimidin-4-amine, C5H6ClN3
  14. Synthesis and crystal structure of bis{((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)-2-naphtholato-κ2N,O}nickel(II), C40H34N4NiO4
  15. Crystal structure of (E)-2-(4-bromophenyl)ethenesulfonyl fluoride (C8H6BrFO2S)
  16. Synthesis and crystal structure of 2,2′-ethylenedioxybis(benzimide)-2,2′-bis[O-(1-propyloxyamide)]oxime-4,4′,6,6′-tetrachlorodiphenol, C36H34Cl4N4O8
  17. Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3N,N′,O)cadmium(II) – methanol (1/1), C26H28N10O4Zn
  18. Crystal structure of diaqua-(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3N,N′,O)-bis(nitrato-κ2O,O′)samarium(III), C12H14N7O9Sm
  19. Crystal structure of hexaaqua-{(E)-N′-(1-(pyrazin-2-yl)ethylidene)isonicotinohydrazide-κ3N,N′,O}praseodym(III) trichloride monohydrate, C12H25Cl3N5O8Pr
  20. Crystal structure of methyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C21H22N2O3
  21. Crystal structure of ethyl 2-amino-4-(2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO6
  22. Crystal structure of 2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c′]dicarbazole, C38H38Br2N2
  23. Crystal structure of ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO7
  24. Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C23H21NO5
  25. Crystal structure of 2-hydroxy-N′-(pyrimidin-2-yl)benzohydrazide, C11H10N4O2
  26. Crystal structure of 2-(3,4-dimethylphenyl)-1,8-naphthyridine, C16H14N2
  27. Crystal structure of ethyl 4-(3,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C23H29NO3
  28. Crystal structure of ethyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C22H24N2O3
  29. Crystal structure of 7β,9β-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5
  30. Crystal structure of Ent-7β,20-epoxy-kaur-16-en-1β,6α,7α,14α,15α-pentaol-20-one, C20H30O8
  31. Crystal structure of 1,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate, C22H20O8
  32. Crystal structure of methyl 2-((4-((2-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl) benzoate, C18H16N4O5
  33. Crystal structure of diaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2N,O)zinc(II), C12H14N4O10Zn
  34. Hydrothemal synthesis and crystal structure of triaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2N,O;κ1O)manganese(II), C12H16N4O11Mn
  35. Redetermination of methyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22ClNO3
  36. Crystal structure of bis{1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-methyl-imdazol)-κN}-dithiocyano-κN-zinc(II) C24H22N12S2Zn
  37. Crystal structure of (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl furan-2-carboxylate, C10H7FN2O5
  38. Crystal structure of bis(η6-cymene)-tri-μ2-chlorido-ruthenium(II) tetrafluoroborate, C20H28BCl3F4Ru2
  39. Crystal structure of 3,6-diphenyl-7H-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazine, C16H12N4S
  40. Synthesis and crystal structure of 1,3-bis[(3,4-dicyano)phenoxy]-4,6-dinitro-benzene, C22H8N6O6
  41. Crystal structure of ethyl 2-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano [4,3-b]pyran-3-carboxylate, C18H15Cl2NO5
  42. Crystal structure of poly[μ3-hydroxy-(μ5-(5-(2-carboxylatophenoxy)isophthalato-κ6O1:O2:O3:O4:O5,O6)-(μ2-1,4-di(1H-imidazol-1-yl)butane-κ2N:N′)dicobalt(II)] hemihydrate, C25H22Co2N4O8.5
  43. Crystal structure of methyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C20H22BrNO3
  44. Crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate trihydrate, C35H33NO12
  45. Crystal structure of 2,5-bis(4-(10H-phenothiazin-10-yl)phenyl)-1,3,4-oxadiazole, C38H24N4OS2
  46. The crystal structure of (E)-2-(4-hydroxyphenyl)-5-(prop-1-en-1-yl)benzofuran-3-carbaldehyde, C18H14O3
  47. Crystal structure of bis{5H-dibenzo[c,f][1,5]oxabismocin-12(7H)-yl} carbonate, C29H24O5Bi2
  48. Crystal structure of ethyl-5-formyl-3,4-dimethylpyrrole-2-carboxylate — N-(5-ethoxycarbonyl-3,4-dimethylpyrrole)-2-methylene-5-nitrobenzene-1,2-diamine (1:1), C26H31N5O7
  49. Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-6-bromo-4-chlorophenol, C14H12BrClN2O
  50. Crystal structure of (Z)-2-(4-chlorophenyl)-4-(furan-2-yl(phenylamino)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, C21H16ClN3O2
  51. Crystal structure of N2,N4-dibutyl-6-chloro-N2,N4-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine, C31H58ClN7 – Important intermediate of Chimassorb 119 synthesis
  52. Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethanone oxime, C17H15BrN2O2
  53. Crystal structure of poly-{diaqua-bis[(μ2-3-nitrobenzenesulfonylglycine-κ3N:O:O′)(4,4′-bipyridine)manganese(II)]}-dimethylformamide (1/1), C39H35Mn2N9O15S2
  54. Crystal structure of 4-(dimethylamino)-1-(prop-2-yn-1-yl)pyridin-1-ium perchlorate, C10H13ClN2O4
  55. Crystal structure of 2-amino-5-oxo-4-(4-chloro-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C15H11ClN2O2
  56. Crystal structure of triaqua-(pyridine-2,6-dicarboxylato-κ3O,N,O′)cobalt(II) – 6-phenyl-1,3,5-triazine-2,4-diamine (1/1), C16H18CoN6O7
  57. Crystal structure of ethyl 2-amino-4-(3-cyanophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C21H22N2O4
  58. Crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene 1-oxide, C12H5Cl2N5O7
  59. Crystal structure of 3,4-dimethyl-2,6-dinitrophenol, C8H8N2O5
  60. Crystal structure of 1,2-dimethyl-3,5-dinitrobenzene, C8H8N2O4
  61. Crystal structure of ethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C21H24ClNO3
  62. Crystal structure of N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)acetamide, C14H10Cl3NO
  63. Crystal structure of 2-amino-4-(4-fluorophenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2c] chromene, C19H11FN2O3
  64. The crystal structure of (4-nitrophenyl) (5-ferrocenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl) methanone, C21H12F3FeN3O3
  65. Crystal structure of 5,5′-((3-hydroxy-4-methoxyphenyl)methylene)bis(1,3-diethyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), C24H30N4O6S2
  66. Crystal structure of (3aR,4R,5R,7R,8S,9R,9aS,12R)-7-ethyl-5-(1-hydroxy-2-((R)-3-hydroxypyrrolidin-1-yl)ethoxy)-4,7,9,12-tetramethyldecahydro-4,9a-propanocyclopenta[8]annulene-3,8-diol – a pleuromutilin derivative, C26H41NO5
  67. Crystal structure of bis(μ2-3-formyl-5-methoxy-2-oxidobenzoato-κ3O,O′:O′)-hexapyridine-dicadmium(II) – pyridine (1/1), C53H47Cd2N7O10
  68. Crystal structure of ethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO6
  69. Crystal structure of methyl 4-(3,5-ditrifluoromethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate — water (2/1), C22H21F6NO3
  70. Crystal structure of 2-(4-bromophenyl)-2,3-dihydro-1H-perimidine, C17H13BrN2
  71. Crystal structure of (5-ethyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl)methanol, C14H20O4
  72. Crystal structure of (E)-N-(4-bromo-2-(1-(hydroxyimino)ethyl)phenyl)benzamide, C15H13BrN2O2
  73. Crystal structure of caffeinium triiodide – caffeine (1/1), C16H21I3N8O4
  74. Crystal structure of methyl 2-methyl-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H21NO4
  75. Crystal structure of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H28O2
  76. Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride, C8H18N8Cl2
  77. The crystal structure of dichlorido-(1,3-bis(2,6-dimethylphenyl)-1H-imidazol-2(3H)-ylidene)-(morpholine-κ1N)palladium(II), C23H29Cl2N3OPd(II)
  78. The crystal structure of 1-((5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-yl)methyl)-1,3-diphenylurea, C24H21ClN4O
  79. Crystal structure of 6-(2-bromoacetamido)tetrahydro-2H-pyran-2,3,4,5-Tetrayl tetraacetate, C16H22BrNO10
  80. Crystal structure of 5-methylpyrazine-2-carbohydrazide, C6H8N4O
  81. Crystal structure of catena-poly[(μ2-5-(tert-butyl)isophthalato-κ4O,O′:O′′,O′′′)(-4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)manganese(II)], C32H28N4O5Mn
https://doi.org/10.1515/ncrs-2018-0020
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Artikel in diesem Heft

  1. Cover and Frontmatter
  2. Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo-pyran, C18H16N4O6
  3. Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2N,N′)cadmium(II)], C100H60N12O16Cd4
  4. Crystal structure of 2-amino-4-(3,4,5-trimethoxy-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C19H18N2O6
  5. Crystal structure of 1-{4-[(2-hydroxy-5-methyl benzylidene)amino]phenyl}ethanone O-ethyl-oxime, C18H20N2O2
  6. Crystal structure of bis{4-methyl-2-((E)-((4-((E)-1-(ethoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O)}copper(II), C36H38CuN4O4
  7. Crystal structure of bis{5-methoxy-2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}nickel(II), C34H34N4NiO6
  8. Crystal structure of poly[μ8-3-carboxyphthalat-κ8-O:O1,O1,O1:O2:O3,O3:O4)silver(I)], C9H4Ag2O6
  9. Crystal structure of 2-((E)-((4-((E)-1-(hydroxyimino)ethyl)phenyl)iminio)methyl)-5-methoxyphenolate, C16H16N2O3
  10. Crystal structure of (E)-1-(4-(((E)-2-hydroxy-3-methoxybenzylidene)amino)phenyl)ethan-1-one oxime, C16H16N2O3
  11. The crystal structure of 2-(tert-butyl)-4-chloro-6-phenyl-1,3,5-triazine, C13H14Cl1N3
  12. Crystal structure of (6,6′-(((((2-aminoethyl)azanediyl)bis(ethane-2,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dichlorophenolato)-κ6N,N′,N′′,N′′′,O,O′)cadmium(II) – ethanol – water (1/1/1), C22H28CdCl4N4O4
  13. Crystal structure of 6-chloro-N-methylpyrimidin-4-amine, C5H6ClN3
  14. Synthesis and crystal structure of bis{((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)-2-naphtholato-κ2N,O}nickel(II), C40H34N4NiO4
  15. Crystal structure of (E)-2-(4-bromophenyl)ethenesulfonyl fluoride (C8H6BrFO2S)
  16. Synthesis and crystal structure of 2,2′-ethylenedioxybis(benzimide)-2,2′-bis[O-(1-propyloxyamide)]oxime-4,4′,6,6′-tetrachlorodiphenol, C36H34Cl4N4O8
  17. Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3N,N′,O)cadmium(II) – methanol (1/1), C26H28N10O4Zn
  18. Crystal structure of diaqua-(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3N,N′,O)-bis(nitrato-κ2O,O′)samarium(III), C12H14N7O9Sm
  19. Crystal structure of hexaaqua-{(E)-N′-(1-(pyrazin-2-yl)ethylidene)isonicotinohydrazide-κ3N,N′,O}praseodym(III) trichloride monohydrate, C12H25Cl3N5O8Pr
  20. Crystal structure of methyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C21H22N2O3
  21. Crystal structure of ethyl 2-amino-4-(2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO6
  22. Crystal structure of 2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c′]dicarbazole, C38H38Br2N2
  23. Crystal structure of ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO7
  24. Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C23H21NO5
  25. Crystal structure of 2-hydroxy-N′-(pyrimidin-2-yl)benzohydrazide, C11H10N4O2
  26. Crystal structure of 2-(3,4-dimethylphenyl)-1,8-naphthyridine, C16H14N2
  27. Crystal structure of ethyl 4-(3,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C23H29NO3
  28. Crystal structure of ethyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C22H24N2O3
  29. Crystal structure of 7β,9β-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5
  30. Crystal structure of Ent-7β,20-epoxy-kaur-16-en-1β,6α,7α,14α,15α-pentaol-20-one, C20H30O8
  31. Crystal structure of 1,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate, C22H20O8
  32. Crystal structure of methyl 2-((4-((2-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl) benzoate, C18H16N4O5
  33. Crystal structure of diaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2N,O)zinc(II), C12H14N4O10Zn
  34. Hydrothemal synthesis and crystal structure of triaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2N,O;κ1O)manganese(II), C12H16N4O11Mn
  35. Redetermination of methyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22ClNO3
  36. Crystal structure of bis{1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-methyl-imdazol)-κN}-dithiocyano-κN-zinc(II) C24H22N12S2Zn
  37. Crystal structure of (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl furan-2-carboxylate, C10H7FN2O5
  38. Crystal structure of bis(η6-cymene)-tri-μ2-chlorido-ruthenium(II) tetrafluoroborate, C20H28BCl3F4Ru2
  39. Crystal structure of 3,6-diphenyl-7H-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazine, C16H12N4S
  40. Synthesis and crystal structure of 1,3-bis[(3,4-dicyano)phenoxy]-4,6-dinitro-benzene, C22H8N6O6
  41. Crystal structure of ethyl 2-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano [4,3-b]pyran-3-carboxylate, C18H15Cl2NO5
  42. Crystal structure of poly[μ3-hydroxy-(μ5-(5-(2-carboxylatophenoxy)isophthalato-κ6O1:O2:O3:O4:O5,O6)-(μ2-1,4-di(1H-imidazol-1-yl)butane-κ2N:N′)dicobalt(II)] hemihydrate, C25H22Co2N4O8.5
  43. Crystal structure of methyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C20H22BrNO3
  44. Crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate trihydrate, C35H33NO12
  45. Crystal structure of 2,5-bis(4-(10H-phenothiazin-10-yl)phenyl)-1,3,4-oxadiazole, C38H24N4OS2
  46. The crystal structure of (E)-2-(4-hydroxyphenyl)-5-(prop-1-en-1-yl)benzofuran-3-carbaldehyde, C18H14O3
  47. Crystal structure of bis{5H-dibenzo[c,f][1,5]oxabismocin-12(7H)-yl} carbonate, C29H24O5Bi2
  48. Crystal structure of ethyl-5-formyl-3,4-dimethylpyrrole-2-carboxylate — N-(5-ethoxycarbonyl-3,4-dimethylpyrrole)-2-methylene-5-nitrobenzene-1,2-diamine (1:1), C26H31N5O7
  49. Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-6-bromo-4-chlorophenol, C14H12BrClN2O
  50. Crystal structure of (Z)-2-(4-chlorophenyl)-4-(furan-2-yl(phenylamino)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, C21H16ClN3O2
  51. Crystal structure of N2,N4-dibutyl-6-chloro-N2,N4-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine, C31H58ClN7 – Important intermediate of Chimassorb 119 synthesis
  52. Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethanone oxime, C17H15BrN2O2
  53. Crystal structure of poly-{diaqua-bis[(μ2-3-nitrobenzenesulfonylglycine-κ3N:O:O′)(4,4′-bipyridine)manganese(II)]}-dimethylformamide (1/1), C39H35Mn2N9O15S2
  54. Crystal structure of 4-(dimethylamino)-1-(prop-2-yn-1-yl)pyridin-1-ium perchlorate, C10H13ClN2O4
  55. Crystal structure of 2-amino-5-oxo-4-(4-chloro-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C15H11ClN2O2
  56. Crystal structure of triaqua-(pyridine-2,6-dicarboxylato-κ3O,N,O′)cobalt(II) – 6-phenyl-1,3,5-triazine-2,4-diamine (1/1), C16H18CoN6O7
  57. Crystal structure of ethyl 2-amino-4-(3-cyanophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C21H22N2O4
  58. Crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene 1-oxide, C12H5Cl2N5O7
  59. Crystal structure of 3,4-dimethyl-2,6-dinitrophenol, C8H8N2O5
  60. Crystal structure of 1,2-dimethyl-3,5-dinitrobenzene, C8H8N2O4
  61. Crystal structure of ethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C21H24ClNO3
  62. Crystal structure of N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)acetamide, C14H10Cl3NO
  63. Crystal structure of 2-amino-4-(4-fluorophenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2c] chromene, C19H11FN2O3
  64. The crystal structure of (4-nitrophenyl) (5-ferrocenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl) methanone, C21H12F3FeN3O3
  65. Crystal structure of 5,5′-((3-hydroxy-4-methoxyphenyl)methylene)bis(1,3-diethyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), C24H30N4O6S2
  66. Crystal structure of (3aR,4R,5R,7R,8S,9R,9aS,12R)-7-ethyl-5-(1-hydroxy-2-((R)-3-hydroxypyrrolidin-1-yl)ethoxy)-4,7,9,12-tetramethyldecahydro-4,9a-propanocyclopenta[8]annulene-3,8-diol – a pleuromutilin derivative, C26H41NO5
  67. Crystal structure of bis(μ2-3-formyl-5-methoxy-2-oxidobenzoato-κ3O,O′:O′)-hexapyridine-dicadmium(II) – pyridine (1/1), C53H47Cd2N7O10
  68. Crystal structure of ethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO6
  69. Crystal structure of methyl 4-(3,5-ditrifluoromethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate — water (2/1), C22H21F6NO3
  70. Crystal structure of 2-(4-bromophenyl)-2,3-dihydro-1H-perimidine, C17H13BrN2
  71. Crystal structure of (5-ethyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl)methanol, C14H20O4
  72. Crystal structure of (E)-N-(4-bromo-2-(1-(hydroxyimino)ethyl)phenyl)benzamide, C15H13BrN2O2
  73. Crystal structure of caffeinium triiodide – caffeine (1/1), C16H21I3N8O4
  74. Crystal structure of methyl 2-methyl-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H21NO4
  75. Crystal structure of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H28O2
  76. Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride, C8H18N8Cl2
  77. The crystal structure of dichlorido-(1,3-bis(2,6-dimethylphenyl)-1H-imidazol-2(3H)-ylidene)-(morpholine-κ1N)palladium(II), C23H29Cl2N3OPd(II)
  78. The crystal structure of 1-((5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-yl)methyl)-1,3-diphenylurea, C24H21ClN4O
  79. Crystal structure of 6-(2-bromoacetamido)tetrahydro-2H-pyran-2,3,4,5-Tetrayl tetraacetate, C16H22BrNO10
  80. Crystal structure of 5-methylpyrazine-2-carbohydrazide, C6H8N4O
  81. Crystal structure of catena-poly[(μ2-5-(tert-butyl)isophthalato-κ4O,O′:O′′,O′′′)(-4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)manganese(II)], C32H28N4O5Mn
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