Startseite Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
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Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3

  • Qi-Yun Wu , Ji-Chun Wu , Shao-Jie Huo , Xi-Chen He und Jiang Du EMAIL logo
Veröffentlicht/Copyright: 1. Februar 2019
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Zeitschrift für Kristallographie - New Crystal Structures
Aus der Zeitschrift Zeitschrift für Kristallographie - New Crystal Structures Band 234 Heft 3

Abstract

C24H48N2O3, monoclinic, P21 (no. 4), a = 14.805(3) Å, b = 10.0557(18) Å, c = 18.061(3) Å, β = 98.935(5)°, V = 2656.3(8) Å3, Z = 4, Rgt(F) = 0.0674, wRref(F2) = 0.1955, T = 173 K.

CCDC no.: 1876201

The asymmetric unit of the title 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:Colourless block
Size:0.28 × 0.15 × 0.12 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.07 mm−1
Diffractometer, scan mode:Bruker APEX-II, ω and ϕ
θmax, completeness:26.3°, >99%
N(hkl)measured, N(hkl)unique, Rint:22053, 10586, 0.063
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 6703
N(param)refined:614
Programs:Olex2 [1], SHELX [2], [3]
Table 2:

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

AtomxyzUiso*/Ueq
O10.11565(18)0.4342(3)0.42753(15)0.0447(8)
H10.11180.45720.38240.067*
O2−0.01866(17)0.3441(3)0.50558(16)0.0429(7)
H20.01370.40730.49420.064*
O30.0572(2)0.0274(3)0.31575(15)0.0480(8)
O40.20444(18)0.9290(3)0.41425(15)0.0441(8)
H40.15320.93990.38770.066*
O50.34144(19)0.8956(3)0.32612(15)0.0410(7)
H50.31020.94500.34980.061*
O60.1374(2)0.5184(3)0.29035(16)0.0565(9)
N10.0098(2)0.2077(4)0.37207(18)0.0453(9)
H1A−0.03230.27010.36910.054*
N20.5668(3)0.2131(4)0.97171(18)0.0506(10)
N30.1900(2)0.7288(3)0.29739(18)0.0393(8)
H30.18450.80800.27650.047*
N40.7356(2)0.7318(4)0.90779(18)0.0468(10)
C10.2250(2)0.2942(5)0.5073(2)0.0380(10)
H1B0.26990.36650.50510.046*
H1C0.25830.20880.50690.046*
C20.1538(2)0.3012(4)0.4369(2)0.0400(10)
H2A0.18400.27960.39260.048*
C30.0768(3)0.2021(4)0.4402(2)0.0383(10)
H3A0.10410.11090.44380.046*
C40.0324(3)0.2244(4)0.5092(2)0.0388(10)
H4A−0.01220.15010.51070.047*
C50.1055(2)0.2093(4)0.5797(2)0.0348(9)
H5A0.13150.11820.57610.042*
C60.0659(3)0.2094(5)0.6525(2)0.0474(11)
H6A0.01490.14500.64890.057*
H6B0.04160.29880.66110.057*
C70.1400(3)0.1716(5)0.7185(2)0.0506(12)
H7A0.11460.18140.76580.061*
H7B0.15640.07690.71360.061*
C80.2267(2)0.2557(4)0.7234(2)0.0333(9)
H80.21140.34920.73560.040*
C90.2618(2)0.2557(4)0.6470(2)0.0324(9)
H90.27380.16050.63570.039*
C100.1882(2)0.3053(4)0.5822(2)0.0305(9)
C110.3542(2)0.3277(4)0.6518(2)0.0379(10)
H11A0.34440.42430.65780.045*
H11B0.37810.31450.60410.045*
C120.4262(3)0.2788(5)0.71723(19)0.0384(10)
H12A0.44260.18550.70790.046*
H12B0.48220.33350.71960.046*
C130.3909(3)0.2872(4)0.79265(19)0.0322(9)
C140.3017(3)0.2054(4)0.7846(2)0.0384(10)
H140.31760.11370.76940.046*
C150.2813(3)0.1947(5)0.8642(2)0.0564(13)
H15A0.24690.11220.87080.068*
H15B0.24520.27200.87680.068*
C160.3760(3)0.1922(5)0.9135(2)0.0530(12)
H16A0.38650.10540.93930.064*
H16B0.38050.26330.95190.064*
C170.4470(3)0.2150(4)0.8603(2)0.0379(10)
H170.46390.12570.84230.045*
C180.3769(3)0.4358(4)0.8120(2)0.0437(11)
H18A0.33160.47590.77310.066*
H18B0.43510.48340.81480.066*
H18C0.35520.44180.86050.066*
C190.1633(3)0.4517(4)0.5971(2)0.0368(10)
H19A0.13780.45670.64390.055*
H19B0.11800.48380.55560.055*
H19C0.21840.50690.60110.055*
C200.5356(3)0.2807(4)0.8993(2)0.0410(10)
H200.51940.37390.91160.049*
C210.6094(3)0.2906(5)0.8491(2)0.0500(12)
H21A0.66790.31390.87960.075*
H21B0.59240.35930.81110.075*
H21C0.61520.20480.82450.075*
C220.6059(5)0.0793(6)0.9629(3)0.0812(19)
H22A0.56350.02750.92690.122*
H22B0.61550.03371.01140.122*
H22C0.66450.08830.94450.122*
C230.6302(4)0.2913(6)1.0228(2)0.0674(15)
H23A0.68780.30071.00290.101*
H23B0.64190.24681.07170.101*
H23C0.60400.37951.02870.101*
C240.0075(3)0.1252(4)0.3135(2)0.0383(10)
C25−0.0608(3)0.1558(5)0.2455(2)0.0478(12)
C26−0.0773(5)0.0609(7)0.1905(3)0.0903(19)
H26−0.0456−0.02140.19740.108*
C27−0.1424(6)0.0818(10)0.1210(4)0.152(3)
H27A−0.12650.16360.09650.228*
H27B−0.20450.08950.13310.228*
H27C−0.13950.00620.08720.228*
C28−0.1047(5)0.2817(7)0.2351(3)0.109(2)
H28A−0.14300.29540.27410.164*
H28B−0.14300.28460.18570.164*
H28C−0.05840.35200.23840.164*
C300.3465(2)0.7647(4)0.3584(2)0.0314(9)
H300.36890.70380.32140.038*
C310.2519(2)0.7152(4)0.3690(2)0.0318(9)
H310.25680.61870.38230.038*
C320.2171(2)0.7899(4)0.4331(2)0.0346(9)
H320.15690.75130.44060.041*
C330.2852(2)0.7722(4)0.50548(19)0.0305(9)
H330.28980.67410.51410.037*
C340.2513(3)0.8292(5)0.5744(2)0.0431(11)
H34A0.18800.79860.57550.052*
H34B0.25060.92750.57140.052*
C350.3132(2)0.7852(4)0.6469(2)0.0361(9)
H35A0.29290.83040.69010.043*
H35B0.30600.68820.65350.043*
C360.4142(2)0.8164(4)0.64651(19)0.0272(8)
H360.42140.91530.64820.033*
C370.4462(2)0.7662(4)0.57300(19)0.0271(8)
H370.43850.66740.57250.033*
C380.3845(2)0.8195(3)0.50077(19)0.0271(8)
C390.5487(2)0.7922(4)0.57444(19)0.0295(9)
H39A0.55880.88920.57100.035*
H39B0.56820.75010.53000.035*
C400.6083(2)0.7387(4)0.64545(19)0.0312(9)
H40A0.60400.64040.64600.037*
H40B0.67290.76280.64440.037*
C410.5790(2)0.7941(4)0.71643(19)0.0280(8)
C420.4769(2)0.7592(4)0.71355(19)0.0299(9)
H420.47250.66030.70840.036*
C430.4574(3)0.7917(4)0.7924(2)0.0370(10)
H43A0.40580.73790.80490.044*
H43B0.44290.88720.79700.044*
C440.5476(3)0.7552(4)0.8437(2)0.0424(11)
H44A0.56820.82990.87780.051*
H44B0.53860.67600.87430.051*
C450.6192(3)0.7257(4)0.79245(19)0.0327(9)
H450.61930.62760.78360.039*
C460.5952(3)0.9446(4)0.7218(2)0.0361(10)
H46A0.55570.98900.68060.054*
H46B0.65930.96370.71840.054*
H46C0.58080.97720.76970.054*
C470.3945(3)0.9719(3)0.4973(2)0.0329(9)
H47A0.38441.01090.54500.049*
H47B0.34931.00730.45670.049*
H47C0.45620.99430.48790.049*
C480.7167(3)0.7662(4)0.8274(2)0.0385(10)
H480.71900.86550.82470.046*
C490.7883(3)0.7147(6)0.7821(2)0.0625(15)
H49A0.84940.72680.81100.094*
H49B0.78370.76410.73490.094*
H49C0.77770.61990.77130.094*
C500.8116(3)0.8062(6)0.9477(2)0.0651(15)
H50A0.86820.77900.93010.098*
H50B0.81660.78841.00150.098*
H50C0.80140.90140.93840.098*
C510.7466(4)0.5929(5)0.9229(3)0.0753(18)
H51A0.69210.54510.89890.113*
H51B0.75500.57790.97710.113*
H51C0.80040.56020.90290.113*
C520.1420(3)0.6300(4)0.2621(2)0.0389(10)
C530.0936(3)0.6579(5)0.1841(2)0.0515(12)
C540.1019(5)0.7901(7)0.1518(3)0.117(3)
H54A0.07030.85540.17890.175*
H54B0.07430.78940.09890.175*
H54C0.16670.81410.15610.175*
C550.0406(4)0.5617(6)0.1492(3)0.0746(16)
H550.03500.48230.17670.089*
C56−0.0109(6)0.5678(10)0.0707(4)0.140(3)
H56A0.00430.48970.04260.211*
H56B0.00630.64870.04600.211*
H56C−0.07670.56880.07230.211*
C570.4143(2)0.7542(4)0.43116(19)0.0304(9)
H57A0.47270.79520.42280.036*
H57B0.42640.65890.44220.036*

Source of material

The stems and roots of Sarcococ ca hookeriana (14.5 kg) were extracted three times using MeOH with ultrasonic. The extract was concentrated and then partitioned between EtOAc and 1% aq. H2SO4. The acid-soluble fraction was alkalinized with aq. Na2CO3 to pH 9 and followed by exhaustive extraction with CH2Cl2 to afford crude alkaloids. The crude alkaloids were roughly separated by CC(SiO2; CH2Cl2/MeOH/Et2NH, 100:0:0−10:1:0−5:1:1) to give five fractions: Frs. A—E. The title compound was obtained from Fr. C by silica gel column chromatography using petroleum ether/acetone/diethylamine (30:1:1) and dichloromethane/methanol (20:1) as the eluent. Recrystallization with dichloromethane was undertaken at room temperature.

Experimental details

The crystal structure was solved by direct methods and refined by full-matrix least-squares methods on F2 using Olex2 [3]. All hydrogen atoms were positioned geometrically, with the d(C—H) = 0.95−1.00 Å. The Uiso(H) were set to 1.2 times Ueq(C) for the methylene groups as well as methenyl groups, at 1.5 times Ueq(C) for the methyl groups. Due to the quality of the data the Flack parameter isn’t conclusive.

Comment

Steroidal alkaloids have a wide spectrum of biological activities, such as cholinesterase inhibiting, antiplasmodial [4], antiinflammatory [5], antibacterial and cytotoxic [6] activities.

Compared with the previous crystal structure report of our team [7], the asymmetric unit of the title structure contains two crystallographically independent but chemically identical molecules (figure). Geometric parameters of the title structure are in the usual ranges. The compound contains two hydroxys, one amide, one double bond and one dimethylamino group. The C2—O1 distance is 1.452(5) Å and C4—O2 distance is 1.418(5) Å. The amide was confirmed by the distance of 1.226(5) Å, and 1.340(5) Å (C24—O3 and C24—N1). The C25—C26 distance is 1.372(8) Å. The dimethylamino group was confirmed by the distance of 1.443(6) Å, and 1.483(7) Å for C23—N2 and C22—N2, respectively. The compound contains three six-membered rings and one five-membered ring. The intermolecular connection were achieved by van der Waals interactions and hydrogen bonds.

In the molecules, there are strong intramolecular O—H⋯O hydrogen bonds (O1—H2⋯O2: d(O1⋯O2) = 2.763 Å and O5—H5⋯O4: d(O5—O4) = 2.786 Å). In addition, the structure of the title compound formed a chain structure via strong intermolecular hydrogen bonds (O1—H1⋯O6: d(O1⋯O6) = 2.685 Å, O4—H4⋯O3: d(O4⋯O3) = 2.773 Å) (cf. the figure).

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: 30960529

Funding statement: The authors gratefully acknowledge support from The National Natural Science Foundation of China [No. 30960529] and the Science and Technology Project of Guizhou Province [No. 2016−1015].

References

1. Dolomanov, O. V.; Bourhis, L. J.; Gildea, R. J.; Howard, J. A. K.; Puschmann, H.: OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Crystallogr. 42 (2009) 339–341.10.1107/S0021889808042726Suche in Google Scholar

2. Sheldrick, G. M.: SHELXT – integrated space-group and crystal-structure determination. Acta Crystallogr. A71 (2015) 3–8.10.1107/S2053273314026370Suche in Google Scholar PubMed PubMed Central

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

4. Devkota, K. P.; Lenta, B. N.; Choudhary, M. I.; Naz, Q.; Fekam, F. B.; Rosenthal, P. J.; Sewald, N.: Cholinesterase inhibiting and antiplasmodial steroidal alkaloids from Sarcococca hookeriana. Chem. Pharm. Bull. 55 (2007) 1397–1401.10.1248/cpb.55.1397Suche in Google Scholar PubMed

5. Adhikaria, A.; Vohra, M. I.; Jabeen, A.; Dastagir, N.; Choudhary, M. I.: Antiinflammatory steroidal alkaloids from Sarcococca wallichii of Nepalese origin. Nat. Prod. Commun. 10 (2015) 1533–1536.10.1177/1934578X1501000911Suche in Google Scholar

6. Devkota, K. P.; Wansi, J. D.; Lenta, B. N.; Khan, S.; Choudhary, M. I.; Sewald, N.: Bioactive steroidal alkaloids from Sarcococca hookeriana. Planta Med. 76 (2010) 1022–1025.10.1055/s-0029-1240896Suche in Google Scholar PubMed

7. He, K.; Zou, J.; Wang, J. X.; Du, J.: Crystal structure of (Z)-N-(17-(1-(dimethylamino)ethyl)-10,13-dimethyl-4-oxo 4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta-[a]phenanthren-3-yl)-3-methylbut-2-enimidic acid dichloromethanemonosolvate, C29H45Cl2N2O2. Z. Kristallogr. NCS 228 (2013) 327–328.10.1524/ncrs.2013.0159Suche in Google Scholar

Received: 2018-11-19
Accepted: 2019-01-14
Published Online: 2019-02-01
Published in Print: 2019-03-26

©2019 Qi-Yun Wu et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 Public License.

Artikel in diesem Heft

  1. Cover and Frontmatter
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  3. Crystal structure of bis[2-(((3-aminopropyl)imino)methyl)-4-nitro-phenolato-κ3N,N′,O]nickel(II), C20H24N6NiO6
  4. Synthesis and crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl) phenolato-κ2N,O}cobalt(II) — ethanol (1/1), C34H36CoN4O5
  5. Crystal structure of 1-(4-{2,5-dichloro-3-hydroxy-4-[4-(1-methoxyimino-ethyl)-phenylamino]-6-methyl-phenylamino}-phenyl)-ethanone O-methyl-oxime, C24H22Cl2N4O4
  6. The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33
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  9. Crystal structure of methyl 2-(4-(pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H13N3O2
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  12. Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6
  13. Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4
  14. Crystal structure of 3-(2-diethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C14H19N3OS
  15. Crystal structure of 2-(bis(3,5-dimethylphenyl) ((methyldiphenylsilyl)oxy)methyl) pyrrolidine, C34H39NOSi
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  17. Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO
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  24. The crystal structure of 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, C15H11ClFN3O2
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  26. Crystal structure of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride, C9H6FNO2S
  27. Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
  28. The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2
  29. Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2O:O′)terbium(III), C18H10Cl6N3O8Tb
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  31. The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
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  34. The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5
  35. Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
  36. Halogen bonds in the crystal structure of 2-bromo-1,10-phenanthroline – 1,4-diiodotetrafluorobenzene (2/1), C30H14Br2F4I2N4
  37. Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2N,O)cobalt(III), C27H24N3O6Co
  38. Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4O,N,N′,O′)iron(III), C22H18ClN2FeO4
  39. Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2
  40. Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2N:N′)] copper(II), C17H12N6Cl2Cu
  41. Crystal structure of dichlorido-([2,2′:6′,2′′-terpyridine]-4′-carboxylic acid-κ3N,N′,N′′)copper(II) monohydrate, C16H13Cl2CuN3O3
  42. Crystal structure of triethylammonium(5-carboxypyridine-2-thiolato-κ2N,S)-bis(dimethylsulfoxide-κ1S)-(6-sulfidonicotinato-κ2N,S)ruthenium(II) trihydrate, C22H41N3O9RuS4
  43. The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6
  44. Crystal structure of (E)-1-(thiophen-2-yl)-N-(5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine, C25H19N3S3Sn
  45. Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1O)-bis(1,3-di(pyridin-4-yl)propane-κ1N)cobalt(II), C38H36Cl4N6O6Co
  46. Crystal structure of dodecaaqua-bis(μ2-4,4′-bipyridine-κ2N:N′)-bis(4,4′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato-κ1O)tricopper(II) - water (1/4), C62H70Cu3N4O32
  47. Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn
  48. Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3N,N′,O)cobalt(III), C36H40N5O8Co
  49. Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi
  50. Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
  51. Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S
  52. Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2
  53. Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5
  54. Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
  55. Crystal structure of ajacisine D monohydrate, C30H44N2O9
  56. The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2
  57. Crystal structure of poly[(μ4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4N,N′,O,O′)(formiato-κ1O)cobalt(II)], C11H9CoN3O4
  58. The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
  59. Crystal structure of (N-benzylpropane-1,3-diamine-κ2N, N′)(2,2′-bipyridine-κ2N,N′)platinum(II) chloride, C20H24Cl2N4Pt
  60. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
  61. Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
  62. Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N:O:O′)(μ2-4,4′-bipyridine-κ2N:N′) nickel(II)], C18H14NiN4O6S
  63. Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
  64. The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
  65. Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O}zinc(II)], C34H32Br4N8O2Zn2
  66. Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
  67. Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
  68. The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
  69. Crystal structure of 2-isopropylthioxanthone, C16H14OS
  70. Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
  71. Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
  72. Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
  73. Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
  74. Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
  75. Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS
https://doi.org/10.1515/ncrs-2018-0511
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Artikel in diesem Heft

  1. Cover and Frontmatter
  2. Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
  3. Crystal structure of bis[2-(((3-aminopropyl)imino)methyl)-4-nitro-phenolato-κ3N,N′,O]nickel(II), C20H24N6NiO6
  4. Synthesis and crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl) phenolato-κ2N,O}cobalt(II) — ethanol (1/1), C34H36CoN4O5
  5. Crystal structure of 1-(4-{2,5-dichloro-3-hydroxy-4-[4-(1-methoxyimino-ethyl)-phenylamino]-6-methyl-phenylamino}-phenyl)-ethanone O-methyl-oxime, C24H22Cl2N4O4
  6. The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33
  7. Crystal structure of (1,4-diazepane)4CuII2(μ-Cl)10CuI6, C20H48Cl10Cu8N8
  8. Crystal structure of methyl 2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H23NO3S
  9. Crystal structure of methyl 2-(4-(pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H13N3O2
  10. Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S
  11. Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2
  12. Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6
  13. Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4
  14. Crystal structure of 3-(2-diethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C14H19N3OS
  15. Crystal structure of 2-(bis(3,5-dimethylphenyl) ((methyldiphenylsilyl)oxy)methyl) pyrrolidine, C34H39NOSi
  16. The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12
  17. Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO
  18. Crystal structure of (Cu0.51In0.49)tet[Cr1.74In0.26]octSe4 selenospinel, Cu0.51In0.75Cr1.74Se4
  19. Crystal structure of 7-hydroxy-5-methoxy-4,6-dimethylisobenzofuran-1(3H)-one, C11H12O4
  20. Crystal structure of trans-tetrakis(acetonitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) dihexafluorophosphate - dichloroform (1/2), C46H44Cl6F12N4P4Ru
  21. Crystal structure of 2-((4-nitrophenyl)thio)ethan-1-ol, C8H9NO3S
  22. Crystal structure of diaqua-dichlorido-bis(μ3-6,6′-(hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenolato)κ6O,N:N′,O′,O′:O′′)trizinc(II) - ethanol (1/2), C36H44Cl2N4O12Zn3
  23. Crystal structure of the co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-chlorobenzoic acid (2/1), C35H25ClO10S4
  24. The crystal structure of 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, C15H11ClFN3O2
  25. Crystal structure of ethyl (E)-1-(3-ethoxy-3-oxoprop-1-en-1-yl)-2-(4-nitrophenyl)-2,5-dihydro-1H-benzo[b][1,4]diazepine-3-carboxylate, C23H23N3O6
  26. Crystal structure of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride, C9H6FNO2S
  27. Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
  28. The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2
  29. Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2O:O′)terbium(III), C18H10Cl6N3O8Tb
  30. The crystal structure of 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine, C34H31N3O
  31. The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
  32. Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd
  33. Crystal structure of 8,8′-di-p-tolyl-8′H-7,8′-biacenaphtho[1,2-d]imidazole, C40H26N4
  34. The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5
  35. Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
  36. Halogen bonds in the crystal structure of 2-bromo-1,10-phenanthroline – 1,4-diiodotetrafluorobenzene (2/1), C30H14Br2F4I2N4
  37. Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2N,O)cobalt(III), C27H24N3O6Co
  38. Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4O,N,N′,O′)iron(III), C22H18ClN2FeO4
  39. Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2
  40. Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2N:N′)] copper(II), C17H12N6Cl2Cu
  41. Crystal structure of dichlorido-([2,2′:6′,2′′-terpyridine]-4′-carboxylic acid-κ3N,N′,N′′)copper(II) monohydrate, C16H13Cl2CuN3O3
  42. Crystal structure of triethylammonium(5-carboxypyridine-2-thiolato-κ2N,S)-bis(dimethylsulfoxide-κ1S)-(6-sulfidonicotinato-κ2N,S)ruthenium(II) trihydrate, C22H41N3O9RuS4
  43. The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6
  44. Crystal structure of (E)-1-(thiophen-2-yl)-N-(5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine, C25H19N3S3Sn
  45. Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1O)-bis(1,3-di(pyridin-4-yl)propane-κ1N)cobalt(II), C38H36Cl4N6O6Co
  46. Crystal structure of dodecaaqua-bis(μ2-4,4′-bipyridine-κ2N:N′)-bis(4,4′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato-κ1O)tricopper(II) - water (1/4), C62H70Cu3N4O32
  47. Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn
  48. Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3N,N′,O)cobalt(III), C36H40N5O8Co
  49. Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi
  50. Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
  51. Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S
  52. Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2
  53. Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5
  54. Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
  55. Crystal structure of ajacisine D monohydrate, C30H44N2O9
  56. The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2
  57. Crystal structure of poly[(μ4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4N,N′,O,O′)(formiato-κ1O)cobalt(II)], C11H9CoN3O4
  58. The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
  59. Crystal structure of (N-benzylpropane-1,3-diamine-κ2N, N′)(2,2′-bipyridine-κ2N,N′)platinum(II) chloride, C20H24Cl2N4Pt
  60. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
  61. Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
  62. Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N:O:O′)(μ2-4,4′-bipyridine-κ2N:N′) nickel(II)], C18H14NiN4O6S
  63. Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
  64. The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
  65. Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O}zinc(II)], C34H32Br4N8O2Zn2
  66. Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
  67. Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
  68. The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
  69. Crystal structure of 2-isopropylthioxanthone, C16H14OS
  70. Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
  71. Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
  72. Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
  73. Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
  74. Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
  75. Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS
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