Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
-
Mostafa M. Ghorab
, Abdullah A. Al-Mishari
Abstract
C20H23N3O5S, monoclinic, P21/c (no. 14), a = 6.7503(2) Å, b = 14.0026(7) Å, c = 21.954(1) Å, β = 96.892(3)°, V = 2060.14(15) Å3, Z = 4, Rgt(F) = 0.0545, wRref(F2) = 0.1192, T = 100 K.
The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
Crystal: | Colourless blocks Size 0.49 × 0.14 × 0.13 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 1.9 cm−1 |
Diffractometer, scan mode: | Bruker APEX-II, φ and ω |
2θmax, completeness: | 55°, >99% |
N(hkl)measured, N(hkl)unique, Rint: | 17049, 4688, 0.075 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 3013 |
N(param)refined: | 274 |
Programs: | SHELX [14], Bruker programs [15] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
S1 | 0.69464(8) | 0.73922(4) | 0.20534(3) | 0.01710(16) |
O1 | 0.3116(2) | 0.43859(12) | 0.49536(8) | 0.0285(4) |
O2 | −0.2449(2) | 0.38517(13) | 0.35006(8) | 0.0283(4) |
O3 | 0.9043(2) | 0.73440(12) | 0.22466(8) | 0.0251(4) |
O4 | 0.6173(2) | 0.71433(12) | 0.14377(7) | 0.0226(4) |
O5 | 0.8302(2) | 0.90812(13) | 0.29708(8) | 0.0302(5) |
N1 | 0.2917(3) | 0.51717(13) | 0.38468(9) | 0.0168(4) |
N2 | 0.6205(3) | 0.85024(13) | 0.21395(9) | 0.0174(5) |
N3 | 0.8218(3) | 0.95046(16) | 0.35540(10) | 0.0328(6) |
C1 | 0.1497(3) | 0.39840(17) | 0.47909(11) | 0.0201(5) |
C2 | 0.0610(4) | 0.33214(18) | 0.52275(11) | 0.0229(6) |
H2A | −0.0067 | 0.3712 | 0.5516 | 0.027* |
H2B | 0.1711 | 0.2974 | 0.5471 | 0.027* |
C3 | −0.0883(3) | 0.25889(18) | 0.49270(11) | 0.0218(6) |
C4 | −0.2422(4) | 0.31306(19) | 0.44840(12) | 0.0282(6) |
H4A | −0.3364 | 0.2664 | 0.4270 | 0.034* |
H4B | −0.3196 | 0.3559 | 0.4725 | 0.034* |
C5 | −0.1531(3) | 0.37120(18) | 0.40136(11) | 0.0217(6) |
C6 | 0.0420(3) | 0.41468(16) | 0.41900(10) | 0.0173(5) |
C7 | −0.1942(4) | 0.2104(2) | 0.54211(12) | 0.0331(7) |
H7A | −0.2933 | 0.1651 | 0.5228 | 0.050* |
H7B | −0.2610 | 0.2587 | 0.5646 | 0.050* |
H7C | −0.0961 | 0.1761 | 0.5706 | 0.050* |
C8 | 0.0191(4) | 0.1843(2) | 0.45829(14) | 0.0395(7) |
H8A | −0.0788 | 0.1404 | 0.4369 | 0.059* |
H8B | 0.1121 | 0.1484 | 0.4875 | 0.059* |
H8C | 0.0933 | 0.2161 | 0.4283 | 0.059* |
C9 | 0.1207(3) | 0.46972(16) | 0.37540(11) | 0.0176(5) |
H9A | 0.0467 | 0.4738 | 0.3359 | 0.021* |
C10 | 0.3790(3) | 0.57078(16) | 0.34023(10) | 0.0150(5) |
C11 | 0.5801(3) | 0.59321(17) | 0.35401(11) | 0.0212(6) |
H11A | 0.6509 | 0.5734 | 0.3919 | 0.025* |
C12 | 0.6765(3) | 0.64407(17) | 0.31272(11) | 0.0209(6) |
H12A | 0.8135 | 0.6600 | 0.3221 | 0.025* |
C13 | 0.5721(3) | 0.67180(16) | 0.25735(10) | 0.0150(5) |
C14 | 0.3705(3) | 0.65129(16) | 0.24412(11) | 0.0182(5) |
H14A | 0.2995 | 0.6719 | 0.2064 | 0.022* |
C15 | 0.2732(3) | 0.60119(16) | 0.28551(11) | 0.0176(5) |
H15A | 0.1349 | 0.5875 | 0.2767 | 0.021* |
C16 | 0.6401(3) | 0.89016(16) | 0.27279(11) | 0.0182(5) |
C17 | 0.5083(3) | 0.91801(17) | 0.31033(11) | 0.0192(5) |
C18 | 0.6321(3) | 0.95628(17) | 0.36207(11) | 0.0222(6) |
C19 | 0.5669(4) | 0.99812(19) | 0.41856(12) | 0.0313(7) |
H19A | 0.6834 | 1.0083 | 0.4490 | 0.047* |
H19B | 0.4739 | 0.9543 | 0.4353 | 0.047* |
H19C | 0.5003 | 1.0593 | 0.4086 | 0.047* |
C20 | 0.2853(3) | 0.9119(2) | 0.30183(12) | 0.0321(7) |
H20A | 0.2412 | 0.8763 | 0.2642 | 0.048* |
H20B | 0.2287 | 0.9764 | 0.2988 | 0.048* |
H20C | 0.2400 | 0.8788 | 0.3370 | 0.048* |
H1N2 | 0.509(3) | 0.8582(15) | 0.1928(10) | 0.009(6)* |
H1N1 | 0.355(4) | 0.5079(18) | 0.4233(13) | 0.033(8)* |
Source of material
2-((Dimethylamino)methylene)-5,5-dimethylcyclohexane-1,3-dione (1.95 g, 0.01 mol) and 4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide (2.67 g, 0.01 mol) were added into ethanol (20 mL) containing glacial acetic acid (5 mL). The mixture was heated under reflux for 13 h, and the solid obtained was recrystallized from ethanol to give 4-((4,4-dimethyl-2,6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5yl)-benzenesulfonamide. Yield: 89%, m.p. = 245.7 °C, IR(cm−1): 2332, 2185 (NH), 1647, 1650 (2CO), 1612 (CN), 3078 (arom.), 2966, 2839 (aliph.), 1377, 1157 (SO2). 1H-NMR: δ = 1.0 [s, 6H, 2CH3 cyclo], 2.3 [s, 4H, 2CH2 cyclo], 2.4, 2.5 [2s, 6H, 2CH2 isoxazole], 7.7, 7.8 [2d, 4H, Ar-H, AB system, J = 8.4 Hz], 8.5 [s, 1H, CH], 12.60, 12.63 [2s, 2H, 2NH]. 13C-NMR: 6.3, 10.7, 28.4(2), 31.0, 51.2, 51.5, 105.6, 109.9(2), 119.3, 128.9(2), 136.9(2), 143.1, 149.7, 155.8, 161.9, 195.6, 199.9. MS (EI, 70 EV): m/z = 417 [M+]. Anal. Calc. for C20H23N3O5S (417.48): C, 57.54; H, 5.55; N, 10.07. Found: C, 57.23; H, 5.82; N, 9.76.
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 Uiso(H) set to 1.2Ueq(C). The H atoms of the methyl groups were allowed to rotate with a fixed angle about the C—C bond to best fit the experimental electron density, with Uiso(H) set to 1.5Ueq(C).
Discussion
Attributable to the extensive applicability of benzene-sulfonamides, it is sought-after to acquire universal and successful methods for their production. Benzene-sulfonamides were the primarily drugs essentially affianced and increasingly used for demand and chemotherapeutic agents hostile to an assortment of diseases [1]. Greater than thirty drugs having this functionality are in quantifiable utilize, including antiseptic [2], [3], and extra biological activities [4], [5], [6], [7], [8]. Particular vital benzene-sulfonamide derivatives are used for instance carbonic anhydrase inhibitors of gainful magnitude [9]. A dumpy period ahead, benzene-sulfonamides are registered as an anticancer proxies [10]. In persistence of our marvel in the synthesis of talented heterocyclic compounds [11], [12], [13], we testimony here a novel 4-((4,4-dimethyl-2,6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide. The ambition of this effort was to prepare of innovative 4-((4,4-dimethyl-2,6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide. Therefore, interaction of 2-((dimethylamino)methylene)-5,5-dimethylcyclohexane-1,3-dione with 4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide furnished 4-((4,4-dimethyl-2,6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzene-sulfonamide. The structure of this new compound is supported by microanalysis, IR, 1H-NMR, mass spectral data and X-ray analysis. In the crystal structure of title molecule, the C6—C9 bond length is 1.384(3) Å and this is typical C—C double bond. The structure was bent and the dihedreal angle between the central phenyl ring (C10—C15) and the isoxazole ring (N3/C16/C17/C18/O5) is 53.75°. In the crystal structure the molecules are stabilized by two classical and three potential non-classical intermolecular hydrogen bonds, of which O1, O2 and O4 work as hydrogen bond acceptors and N1, C4, C11, C19 and C20 work as hydrogen bond donors. The distance of the interactions between N2—H1N2⋯O2i, C4—H4A⋯O4ii, C11—H11A⋯O1iii, C19—H19C⋯O4iv and C20—H20A⋯O2i are 2.791(3) Å, 3.345(3) Å, 3.330(3) Å, 3.489(3) Å and 3.334(3) Å, respectively. The angles are 174.5(19)°, 156°, 152°, 163° and 141°, respectively. Symmetry codes: (i) −x, y + 1/2, −z + 1/2; (ii) −x, y−1/2, −z + 1/2; (iii) −x + 1, −y + 1, −z + 1; (iv) −x + 1, y + 1/2, −z + 1/2.
Funding source: King Saud University
Award Identifier / Grant number: RGP-302
Funding statement: The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for funding of this research through the Research Group Project no. RGP-302.
Acknowledgements:
The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for funding of this research through the Research Group Project no. RGP-302.
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©2016 Mostafa M. Ghorab et al., published by De Gruyter.
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Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of the catena-poly-[bis(μ2-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl-κN)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)nickel(II)] 5.5 hydrate, C32H44N6NiO11F2
- Crystal structure of catena-poly-[(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetato-κ2O:O′)(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetate-κ3O,O′:O′)cadmium(II)], C28H20N2Cl4O4Cd
- Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd
- Crystal structure of poly-{[μ2-(E)-1,4-di(1H-imidazol-1-yl)but-2-ene-κ2N:N′][μ2-cyclohexane-1,4-dicarboxylato-κ4O,O′:O′′,O′′′]nickel(II)}, C18H22N4NiO4
- Crystal structure of aqua (5,5′-dicarboxy-(1,1′-biphenyl)-2,3′-dicarboxylato-κO) bis(1,10-phenanthroline-κ2N,N′)cadmium monohydrate, C40H28CdN4O10
- Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS
- Crystal structure of 5-methoxy-N′-[(3Z)-1-benzyl-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C27H25FN4O4S
- Crystal structure of poly-[bis{μ2-N-(4-(1H-imidazol-1-yl)phenyl)-4-(1H-imidazol-1-yl)-N-phenylaniline-κ2N:N′)}-(μ2-naphthalene-2,6-dicarboxylato)-(μ4-naphthalene-2,6-dicarboxylato)dicadmium(II)], C36H25N5O4Cd
- Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S
- Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O
- Crystal structure of dichlorido{bis(2-hydroxyethyl)-5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylate-κ3N,N′,N′′}zinc(II), C39H31Cl2N3O6Zn
- Crystal structure of 4,4′-(1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo [3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid, C26H18N2O8
- Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C17H16Cl2N2O2
- The crystal structure of diaqua-(N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ4-N,O,O′,O′′)chromium(III) based on synchrotron data, C11H13CrN2O9
- Crystal structure of ethyl 5-amino-3-(methylthio)-1-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-1H-pyrazole-4-carboxylate, C21H19N5O3S2
- Crystal structure of (E)-1-(4-(((E)-3,5-dibromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H16Br2N2O2
- Crystal structure of dibromido μ-oxalato-κ2O,O′:κ2O′′,O′′′−η6-p-cymenediosmium(II), C22H28Br2O4Os2
- Crystal structure of 2-(bromomethyl)-4-(4-chlorophenyl)-1-tosylpyrrolidine, C18H19BrClNO2S2
- Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3
- Crystal structure of diethylammonium 1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide, C10H19N3O3
- Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O
- Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS
- Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2
- Crystal structure of 1-ferrocenyl-6-bromopyrene, C26H17BrFe
- Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S
- Crystal structure of 2-amino-4-(3,5-ditrifluoromethylphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C20H16F6N2O2
- The crystal structure of 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13N3O4
- Crystal structure of 2-amino-4-(2, 4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2
- Crystal structure of bis(μ2-chlorido)-bis(di-p-tolylhydroxyphosphine-κP)-bis(di-p-tolylphosphite-κP)dipalladium(II), C56H58Cl2O4P4Pd2
- Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14
- Crystal structure of aqua-(5-nitrosalicylato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)copper(II), C19H13CuN3O6
- Crystal structure of bis(4-(2-phenylpropan-2-yl)phenyl)amine, C30H31N
- Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2
- Crystal structure of 2-amino-4-(3,4,5-trifluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H11F3N2O2
- Crystal structure of an isomeric bis[(η5:η1-6,6-di-p-tolylpentafulvene)(η5-pentamethylcyclopentadienyl)titanium(III)]-μ2,η1:η1-dinitrogen complex, C60H66N2Ti2
- Crystal structure of 3,4-dinitropyrazole, C3H2N4O4
- Crystal structure of (4-vinylpyridine-κN)triphenyl tin(IV) chloride, C25H22ClNSn
- Crystal structure of tert-butyl 2-phenylethylcarbamate, C13H19NO2
- Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4
- Crystal structure of bis(biphenyl-2,2′-dicarboxylato-κ2O:O′)-bis(1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)dizinc(II)2.5 hydrate, C62H57N6Zn2O16.5F2
- Crystal structure of dichloridobis{μ2-2,2′-((1E,1′E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-chlorophenolato)-κ5O,N,N′,O′:O′}diiron(III), C32H24Cl6Fe2N4O4
- Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
- Crystal structure of poly-[aqua-μ2-aqua-μ2-(4,4′-oxybis(benzoato)-κ4O,O′:O′′,O′′′)cadmium(II)], C14H12O7Cd
- Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2
- Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12
- Crystal structure of poly-[tetraaqua-bis(μ4-2,5-dibenzoyl-1,4-benzenedicarboxylato-κ4O1:O2:O3:O4)-μ2-2,5-dibenzoyl-1,4-benzenedicarboxylato-k4O5,O6: O5′,O6′-didysprosium(III)] tetrahydrate C33H26O13Dy
- Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2
- Crystal structure of poly-[triaqua-(μ3-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′,O′′′) (2,3,4,5-tetrafluoro-benzoato-κ2O,O′) praseodymium(III)], C15H7F8O9Pr
- The crystal structure of dichlorido (1,3-dimesityl-1H-3λ4-imidazol-2-yl)(isoquinoline-κN)palladium(IV) – ethylacetate (1/1), C34H39Cl2N3O2Pd
- Crystal structure of dichlorido(1,3-bis(2,6-dimethyl-phenyl)-1H-3λ4-imidazol-2-yl)(isoquinolinyl)palladium(IV), C28H27Cl2N3Pd
- Crystal structure of 5-(4-(1H-tetrazol-5-yl)phenyl)-1H-imidazol-3-ium 7-carboxy-1,3-dioxo-1H,3H-benzo[de]isochromene-6-carboxylate monohydrate 4,5-anhydride, C24H16N6O8
- Crystal structure of poly-[diaqua-bis(μ2-2-((1H-1,2,4-triazol-5-yl)thio)acetato-κ2N:O) cadmium(II)], C8H8CdN6O6S2
- Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6
- Structure and photochromism of 1-(1,2-dimethylindol-3-yl)-2-[2-methyl-5-(3-fluorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C26H18F7NS
- Crystal structure of two-dimensional coordination polymer poly-[μ2-azido-aqua-(μ2-pyrazine-2-carboxylato-κ3O,N:N′)nickel(II)], C5H5N5O3Ni
- Crystal structure of 2-amino-5-oxo-4-(3,5-bis(trifluoromethyl)phenyl)-4H,5H-pyrano [3,2-c]chromene-3-carbonitrile, C21H10F6N2O3
- Crystal structure of 4-(5-((2-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, C21H18N4S
- Crystal structure of 5-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-N-ethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, C18H16Cl2N4O2S
- Crystal structure of 4-(benzofuran-2-yl)-2-(3-(4-fluorophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)thiazole, C28H20FN3OS
- Crystal structure of bis(dicyanamido-κ1N)-tetrakis[1-benzyl-1H-1,2,4-triazole-κ1N]cobalt(II), CoC40H36N18
- Crystal structure of 1-benzyl-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carbonitrile, C13H14N2O
- Crystal structure of 2-amino-7-methyl-4-(3,4-difluoro-phenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10F2N2O3
- The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3
- Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O
- Crystal structure of N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)quinolin-8-yl)benzamide, C21H17N3O4S
- Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2
- Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3
- Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile – ethanol (1:1), C21H16N4O8
- Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ2O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ4O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
- Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4
- Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
- Crystal structure of 4-(4-((3-bromophenyl)amino)-6-(tert-butyl)-3-(2-hydroxypropan-2-yl)cinnolin-8-yl)-2-methylbut-3-yn-2-ol, C26H30BrN3O2
- Crystal structure poly-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazolyl-κ2NN1:N2N)-(μ3-2,2′-(1,2-phenylene)diacetato-κ5-O1,O2:O2:O3,O4)cadmium(II), C22H19CdN5O4
- Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
- Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O
- Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
- The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dicerium(III), C50H38F18O16Ce2
- Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO
- Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2
- The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O
Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of the catena-poly-[bis(μ2-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl-κN)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)nickel(II)] 5.5 hydrate, C32H44N6NiO11F2
- Crystal structure of catena-poly-[(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetato-κ2O:O′)(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetate-κ3O,O′:O′)cadmium(II)], C28H20N2Cl4O4Cd
- Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd
- Crystal structure of poly-{[μ2-(E)-1,4-di(1H-imidazol-1-yl)but-2-ene-κ2N:N′][μ2-cyclohexane-1,4-dicarboxylato-κ4O,O′:O′′,O′′′]nickel(II)}, C18H22N4NiO4
- Crystal structure of aqua (5,5′-dicarboxy-(1,1′-biphenyl)-2,3′-dicarboxylato-κO) bis(1,10-phenanthroline-κ2N,N′)cadmium monohydrate, C40H28CdN4O10
- Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS
- Crystal structure of 5-methoxy-N′-[(3Z)-1-benzyl-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C27H25FN4O4S
- Crystal structure of poly-[bis{μ2-N-(4-(1H-imidazol-1-yl)phenyl)-4-(1H-imidazol-1-yl)-N-phenylaniline-κ2N:N′)}-(μ2-naphthalene-2,6-dicarboxylato)-(μ4-naphthalene-2,6-dicarboxylato)dicadmium(II)], C36H25N5O4Cd
- Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S
- Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O
- Crystal structure of dichlorido{bis(2-hydroxyethyl)-5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylate-κ3N,N′,N′′}zinc(II), C39H31Cl2N3O6Zn
- Crystal structure of 4,4′-(1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo [3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid, C26H18N2O8
- Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C17H16Cl2N2O2
- The crystal structure of diaqua-(N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ4-N,O,O′,O′′)chromium(III) based on synchrotron data, C11H13CrN2O9
- Crystal structure of ethyl 5-amino-3-(methylthio)-1-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-1H-pyrazole-4-carboxylate, C21H19N5O3S2
- Crystal structure of (E)-1-(4-(((E)-3,5-dibromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H16Br2N2O2
- Crystal structure of dibromido μ-oxalato-κ2O,O′:κ2O′′,O′′′−η6-p-cymenediosmium(II), C22H28Br2O4Os2
- Crystal structure of 2-(bromomethyl)-4-(4-chlorophenyl)-1-tosylpyrrolidine, C18H19BrClNO2S2
- Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3
- Crystal structure of diethylammonium 1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide, C10H19N3O3
- Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O
- Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS
- Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2
- Crystal structure of 1-ferrocenyl-6-bromopyrene, C26H17BrFe
- Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S
- Crystal structure of 2-amino-4-(3,5-ditrifluoromethylphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C20H16F6N2O2
- The crystal structure of 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13N3O4
- Crystal structure of 2-amino-4-(2, 4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2
- Crystal structure of bis(μ2-chlorido)-bis(di-p-tolylhydroxyphosphine-κP)-bis(di-p-tolylphosphite-κP)dipalladium(II), C56H58Cl2O4P4Pd2
- Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14
- Crystal structure of aqua-(5-nitrosalicylato-κ2O,O′)-(1,10-phenanthroline-κ2N,N′)copper(II), C19H13CuN3O6
- Crystal structure of bis(4-(2-phenylpropan-2-yl)phenyl)amine, C30H31N
- Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2
- Crystal structure of 2-amino-4-(3,4,5-trifluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H11F3N2O2
- Crystal structure of an isomeric bis[(η5:η1-6,6-di-p-tolylpentafulvene)(η5-pentamethylcyclopentadienyl)titanium(III)]-μ2,η1:η1-dinitrogen complex, C60H66N2Ti2
- Crystal structure of 3,4-dinitropyrazole, C3H2N4O4
- Crystal structure of (4-vinylpyridine-κN)triphenyl tin(IV) chloride, C25H22ClNSn
- Crystal structure of tert-butyl 2-phenylethylcarbamate, C13H19NO2
- Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4
- Crystal structure of bis(biphenyl-2,2′-dicarboxylato-κ2O:O′)-bis(1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)dizinc(II)2.5 hydrate, C62H57N6Zn2O16.5F2
- Crystal structure of dichloridobis{μ2-2,2′-((1E,1′E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-chlorophenolato)-κ5O,N,N′,O′:O′}diiron(III), C32H24Cl6Fe2N4O4
- Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
- Crystal structure of poly-[aqua-μ2-aqua-μ2-(4,4′-oxybis(benzoato)-κ4O,O′:O′′,O′′′)cadmium(II)], C14H12O7Cd
- Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2
- Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12
- Crystal structure of poly-[tetraaqua-bis(μ4-2,5-dibenzoyl-1,4-benzenedicarboxylato-κ4O1:O2:O3:O4)-μ2-2,5-dibenzoyl-1,4-benzenedicarboxylato-k4O5,O6: O5′,O6′-didysprosium(III)] tetrahydrate C33H26O13Dy
- Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2
- Crystal structure of poly-[triaqua-(μ3-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′,O′′′) (2,3,4,5-tetrafluoro-benzoato-κ2O,O′) praseodymium(III)], C15H7F8O9Pr
- The crystal structure of dichlorido (1,3-dimesityl-1H-3λ4-imidazol-2-yl)(isoquinoline-κN)palladium(IV) – ethylacetate (1/1), C34H39Cl2N3O2Pd
- Crystal structure of dichlorido(1,3-bis(2,6-dimethyl-phenyl)-1H-3λ4-imidazol-2-yl)(isoquinolinyl)palladium(IV), C28H27Cl2N3Pd
- Crystal structure of 5-(4-(1H-tetrazol-5-yl)phenyl)-1H-imidazol-3-ium 7-carboxy-1,3-dioxo-1H,3H-benzo[de]isochromene-6-carboxylate monohydrate 4,5-anhydride, C24H16N6O8
- Crystal structure of poly-[diaqua-bis(μ2-2-((1H-1,2,4-triazol-5-yl)thio)acetato-κ2N:O) cadmium(II)], C8H8CdN6O6S2
- Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6
- Structure and photochromism of 1-(1,2-dimethylindol-3-yl)-2-[2-methyl-5-(3-fluorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C26H18F7NS
- Crystal structure of two-dimensional coordination polymer poly-[μ2-azido-aqua-(μ2-pyrazine-2-carboxylato-κ3O,N:N′)nickel(II)], C5H5N5O3Ni
- Crystal structure of 2-amino-5-oxo-4-(3,5-bis(trifluoromethyl)phenyl)-4H,5H-pyrano [3,2-c]chromene-3-carbonitrile, C21H10F6N2O3
- Crystal structure of 4-(5-((2-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, C21H18N4S
- Crystal structure of 5-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-N-ethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, C18H16Cl2N4O2S
- Crystal structure of 4-(benzofuran-2-yl)-2-(3-(4-fluorophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)thiazole, C28H20FN3OS
- Crystal structure of bis(dicyanamido-κ1N)-tetrakis[1-benzyl-1H-1,2,4-triazole-κ1N]cobalt(II), CoC40H36N18
- Crystal structure of 1-benzyl-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carbonitrile, C13H14N2O
- Crystal structure of 2-amino-7-methyl-4-(3,4-difluoro-phenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10F2N2O3
- The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3
- Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O
- Crystal structure of N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)quinolin-8-yl)benzamide, C21H17N3O4S
- Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2
- Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3
- Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile – ethanol (1:1), C21H16N4O8
- Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ2O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ4O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
- Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4
- Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
- Crystal structure of 4-(4-((3-bromophenyl)amino)-6-(tert-butyl)-3-(2-hydroxypropan-2-yl)cinnolin-8-yl)-2-methylbut-3-yn-2-ol, C26H30BrN3O2
- Crystal structure poly-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazolyl-κ2NN1:N2N)-(μ3-2,2′-(1,2-phenylene)diacetato-κ5-O1,O2:O2:O3,O4)cadmium(II), C22H19CdN5O4
- Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
- Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O
- Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
- The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dicerium(III), C50H38F18O16Ce2
- Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO
- Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2
- The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O