Abstract
C12H15N3O2, monoclinic, P21/c, a = 10.480(3) Å, b = 14.608(4) Å, c = 8.3398(17) Å, β = 106.753(18)°, V = 1222.6(5) Å3, Z = 4, Rgt(F) = 0.0700, wRref(F2) = 0.1896, T = 296(2) K.
The crystal structure is shown in the Figure, Tables 1–3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
Crystal: | Colourless, block, size 0.1×0.2×0.3 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 0.89 cm−1 |
Diffractometer, scan mode: | Bruker APEX-II area-detector diffractometer, φ and ω scans |
2θmax: | 50° |
N(hkl)measured, N(hkl)unique: | 8490, 210 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 988 |
N(param)refined: | 155 |
Programs: | SHELX [2, 3] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | Site | x | y | z | Uiso |
---|---|---|---|---|---|
H(12A) | 4e | 0.8811 | 0.1462 | 0.3369 | 0.109 |
H(12B) | 4e | 0.8648 | 0.0548 | 0.2345 | 0.109 |
H(12C) | 4e | 0.7732 | 0.1388 | 0.1625 | 0.109 |
H(8A) | 4e | 0.7507 | −0.0417 | −0.3435 | 0.070 |
H(8B) | 4e | 0.8489 | −0.0209 | −0.4492 | 0.070 |
H(6A) | 4e | 0.7417 | 0.1858 | −0.3813 | 0.076 |
H(10A) | 4e | 1.1547 | 0.2234 | 0.0821 | 0.115 |
H(10B) | 4e | 1.1470 | 0.2524 | −0.1015 | 0.115 |
H(10C) | 4e | 1.2266 | 0.1645 | −0.0230 | 0.115 |
H(5A) | 4e | 0.5905 | 0.2778 | −0.5672 | 0.091 |
H(4A) | 4e | 0.4392 | 0.2126 | −0.7981 | 0.094 |
H(1A) | 4e | 0.6749 | −0.1018 | −0.5915 | 0.117 |
H(1B) | 4e | 0.6230 | −0.0815 | −0.7840 | 0.117 |
H(1C) | 4e | 0.5215 | −0.1016 | −0.6823 | 0.117 |
H(3A) | 4e | 0.4438 | 0.0575 | −0.8418 | 0.089 |
Atomic displacement parameters (Å2).
Atom | Site | x | y | z | U11 | U22 | U33 | U12 | U13 | U23 |
---|---|---|---|---|---|---|---|---|---|---|
O(2) | 4e | 0.9576(3) | 0.1525(2) | 0.1445(3) | 0.085(2) | 0.081(2) | 0.046(1) | −0.008(2) | 0.026(1) | −0.007(1) |
O(1) | 4e | 1.0479(3) | 0.1083(2) | −0.3569(3) | 0.075(2) | 0.073(2) | 0.056(2) | −0.001(2) | 0.026(2) | −0.003(1) |
N(3) | 4e | 1.0295(3) | 0.1463(2) | −0.0912(3) | 0.059(2) | 0.060(2) | 0.048(2) | −0.005(2) | 0.016(2) | −0.000(1) |
N(2) | 4e | 0.8463(3) | 0.0677(2) | −0.0962(4) | 0.068(2) | 0.065(2) | 0.047(2) | −0.000(2) | 0.019(2) | 0.004(2) |
N(1) | 4e | 0.8820(3) | 0.0548(2) | −0.2449(3) | 0.058(2) | 0.065(2) | 0.044(2) | −0.007(2) | 0.016(1) | −0.000(1) |
C(11) | 4e | 0.9404(4) | 0.1214(3) | −0.0109(4) | 0.064(3) | 0.056(2) | 0.043(2) | 0.005(2) | 0.012(2) | 0.003(2) |
C(7) | 4e | 0.6898(4) | 0.0665(2) | −0.5026(4) | 0.057(2) | 0.056(2) | 0.046(2) | −0.005(2) | 0.014(2) | −0.004(2) |
C(9) | 4e | 0.9924(4) | 0.1037(3) | −0.2470(4) | 0.063(3) | 0.053(2) | 0.040(2) | 0.004(2) | 0.017(2) | 0.002(2) |
C(2) | 4e | 0.5995(4) | 0.0273(3) | −0.6415(4) | 0.059(3) | 0.060(3) | 0.054(2) | −0.011(2) | 0.018(2) | −0.003(2) |
C(12) | 4e | 0.8610(5) | 0.1203(3) | 0.2266(5) | 0.091(3) | 0.082(3) | 0.051(2) | 0.013(3) | 0.028(2) | 0.011(2) |
C(8) | 4e | 0.7950(4) | 0.0071(3) | −0.3855(4) | 0.064(3) | 0.053(2) | 0.055(2) | −0.005(2) | 0.014(2) | −0.004(2) |
C(6) | 4e | 0.6830(4) | 0.1597(3) | −0.4759(5) | 0.069(3) | 0.052(2) | 0.064(2) | 0.001(2) | 0.007(2) | −0.004(2) |
C(10) | 4e | 1.1497(4) | 0.2013(3) | −0.0280(5) | 0.065(3) | 0.086(3) | 0.076(3) | −0.016(3) | 0.016(2) | −0.014(2) |
C(5) | 4e | 0.5916(5) | 0.2150(3) | −0.5858(5) | 0.081(3) | 0.059(3) | 0.082(3) | 0.001(2) | 0.015(3) | 0.006(2) |
C(4) | 4e | 0.5018(5) | 0.1762(3) | −0.7234(5) | 0.071(3) | 0.081(3) | 0.072(3) | 0.005(3) | 0.002(2) | 0.012(2) |
C(1) | 4e | 0.6053(5) | −0.0736(3) | −0.6781(5) | 0.084(3) | 0.069(3) | 0.076(3) | −0.013(2) | 0.016(2) | −0.024(2) |
C(3) | 4e | 0.5055(4) | 0.0834(3) | −0.7497(5) | 0.064(3) | 0.084(3) | 0.065(2) | −0.010(2) | 0.004(2) | −0.004(2) |
Source of material
Reagents and solvents used were of commercially available quality. The title compound was synthesized according references [1]. To a stirred solution of 3-methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one (0.25 g, 1 mmol) and K2CO3 (0.14 g, 1.1 mmol) in DMF (5 mL), a mixture of 1-(chloromethyl)-2-fluorobenzene (1.1 mmol) was added dropwise. The resulting mixture was stirred at room temperature overnight. The mixture was poured into ice water. The precipitate formed was filtered off and recrystallized from petroleum ether/acetone to give the title compound with the yield of ~88%.
Experimental details
The H atoms bonded to C and N atoms were positioned geometrically and refined using a riding model [aliphatic C–H = 0.97(2) Å and N–H = 0.86 Å, Uiso(H) = 1.2Ueq(C)]. The H atoms bonded to O atoms were located in a difference Fourier maps and refined with O–H distance restraints of 0.85(2) and Uiso(H) = 1.5Ueq(O).
Discussion
In recent years, heterocycles have received significant attention due to their biological importance [4–6], especially 1,2,4-triazole ring. The 1,2,4-triazole derivatives are often exhibited diversity biological activities including herbicidal activity [6, 7], antifungal activity [8] and so on. In view of these facts and in continuation of our interest in the agriculture, we attempted to synthesize a series of 1,2,4-oxadiazole derivatives. Generally, the average bond lengths and bond angles of phenyl ring and triazole ring [9, 10] are normal. The C(8)–N(1), C(11)–N(2), C(9)–N(1) and C(11)–N(3) bonds are significantly shorter than a normal single C–N bond which indicates significant electron delocalization in the triazole system. The bond angle of N(1)–C(8)–C(7) is 114.8(3)°.
Acknowledgements:
The paper was supported by Applied Chemistry Foundation of Zhejiang Shuren University(YH2013S09). The authors thank the responsible editor for supplying the figure.
References
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©2016 Chao Lei et al., published by De Gruyter.
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Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2
- The crystal structure of bis(4-(2,4-dimethylphenyl)piperazin-1-yl)methane, C25H36N4
- Crystal structure of bis(triphenylphosphine-κP)bis(μ2-1H,1′H-2,2′-biimidazole-κ3N,N′:N′)disilver(I) bis(tetrafluoroborate), C48H42Ag2B2F8N8P2
- The crystal structure of 1,2-bis(2-pyrazinecarboxamido)-benzene, C16H12N6O2
- Redetermination of the crystal structure of 3-bromobenzoic acid, C7H5BrO2
- Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocuprate(II), (C20H20P)2[CuBr4]
- Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2
- Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2N,N′)-cobalt(II),C22H18CoN12O2
- Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2
- Crystal structure of butyl 2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate, C16H20N2O4S
- Crystal structure of hexaaquabis(μ2-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)bis(μ3-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)tetra-manganese(II) dihydrate, C48H40Mn4N24O16
- Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmate(II)] bis(2-aminoisonicotinate) tetrahydrate, C38H50CdN8O10
- Crystal structure of succinic acid — 4-((pyridin-4-ylmethyl)sulfanylpyridine (1/1), C15H16N2O4S
- Crystal structure of tetrakis(μ2-acetato-κ2O:O′)bis(2-((pyridin-4-ylmethyl)sulfanyl)pyridine-κN)dicopper(II), C30H32N4O8S2Cu2
- Crystal structure of 1-((2R,3S)-2,3-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-phenoxyethan-1-one, C18H19NO3
- Crystal structure of tetramethylammonium sulfanilate, C10H18N2O3S
- Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4
- Crystal structure of 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione, C18H13Cl2NO3
- Crystal structure of diaqua-bis(μ3-2-methyl-6-oxidopyridinium-4-carboxylato-κ3O:O′:O′′)neodymium(III) chloride, C14H16ClN2O8Nd
- Crystal structure of 5-methoxy-4-methyl-2-(2-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H15N3O2
- The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone
- Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate
- Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4
- Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)
- Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3
- Crystal structure of catena[diaqua-bis(μ2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2N:N′)copper(II)] dinitrate, C20H24CuN18O8
- Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag
- Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2
- Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O
- Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
- Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2N,N′))bis(methanylylidene))diphenolato-κ2O′′,O′′′]zinc(II), C28H22N2O4Zn
- Crystal structure of (E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C13H17NO3
- Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8
- Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn
- Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2
- Crystal structure of bis(8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, C36H42CuN10O12
- Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2
- Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2
- The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32
- Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2
- Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S
- Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3
- Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2
- Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2
- Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2N,N′)zinc(II)
- Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)
- Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
- Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)
- Crystal structure of 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16Cl2N2O2
- Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13
- Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ2O,O′)(triphenylarsine-κAs)rhodium(I), C25H20AsN2O3Rh
- The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2
- Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S
- Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2N:O)barium(II), C4H10N8O6Ba
- Crystal structure of 2-amino-4-(3-phenoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C22H18N2O3
- Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
- Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2
- Crystal structure of tris(N-nitroso-N-oxyanilino-κ2O, O′) oxidoniobium(V), C18H15N6O7Nb
- Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S
- Crystal structure of diethyl-3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-dicarboxylate, C19H18O4S2
- Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12
- The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine
- Crystal structure of hexaquamanganese(II) bis(hexaborato-κ3O,O′,O′′)manganese(II) dihydrate, B12H28Mn2O34
- Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]
- Crystal structure of 13-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one — dimethylformamide — water (1/2/1), C29H31FN6O4
- Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
- Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
- Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4
- Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4
- Crystal structure of trans-bis(2-methylmaleato-κ2O,O′) bis(piperazinium-κN) cobalt(II) trihydrate, C18H36CoN4O11
- Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O
- Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
- Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2
- Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
- Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
- Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
- Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
- Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
- Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
- Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
- Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
- Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
- Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
- Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
- Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
- Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
- Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
- Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
- Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
- Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
- Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
- Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
- Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
- Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
- Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
- Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
- Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
- Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
- Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
- Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
- Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
- Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5
Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2
- The crystal structure of bis(4-(2,4-dimethylphenyl)piperazin-1-yl)methane, C25H36N4
- Crystal structure of bis(triphenylphosphine-κP)bis(μ2-1H,1′H-2,2′-biimidazole-κ3N,N′:N′)disilver(I) bis(tetrafluoroborate), C48H42Ag2B2F8N8P2
- The crystal structure of 1,2-bis(2-pyrazinecarboxamido)-benzene, C16H12N6O2
- Redetermination of the crystal structure of 3-bromobenzoic acid, C7H5BrO2
- Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocuprate(II), (C20H20P)2[CuBr4]
- Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2
- Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2N,N′)-cobalt(II),C22H18CoN12O2
- Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2
- Crystal structure of butyl 2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate, C16H20N2O4S
- Crystal structure of hexaaquabis(μ2-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)bis(μ3-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)tetra-manganese(II) dihydrate, C48H40Mn4N24O16
- Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmate(II)] bis(2-aminoisonicotinate) tetrahydrate, C38H50CdN8O10
- Crystal structure of succinic acid — 4-((pyridin-4-ylmethyl)sulfanylpyridine (1/1), C15H16N2O4S
- Crystal structure of tetrakis(μ2-acetato-κ2O:O′)bis(2-((pyridin-4-ylmethyl)sulfanyl)pyridine-κN)dicopper(II), C30H32N4O8S2Cu2
- Crystal structure of 1-((2R,3S)-2,3-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-phenoxyethan-1-one, C18H19NO3
- Crystal structure of tetramethylammonium sulfanilate, C10H18N2O3S
- Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4
- Crystal structure of 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione, C18H13Cl2NO3
- Crystal structure of diaqua-bis(μ3-2-methyl-6-oxidopyridinium-4-carboxylato-κ3O:O′:O′′)neodymium(III) chloride, C14H16ClN2O8Nd
- Crystal structure of 5-methoxy-4-methyl-2-(2-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H15N3O2
- The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone
- Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate
- Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4
- Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)
- Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3
- Crystal structure of catena[diaqua-bis(μ2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2N:N′)copper(II)] dinitrate, C20H24CuN18O8
- Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag
- Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2
- Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O
- Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
- Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2N,N′))bis(methanylylidene))diphenolato-κ2O′′,O′′′]zinc(II), C28H22N2O4Zn
- Crystal structure of (E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C13H17NO3
- Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8
- Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn
- Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2
- Crystal structure of bis(8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, C36H42CuN10O12
- Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2
- Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2
- The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32
- Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2
- Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S
- Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3
- Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2
- Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2
- Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2N,N′)zinc(II)
- Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)
- Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
- Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)
- Crystal structure of 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16Cl2N2O2
- Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13
- Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ2O,O′)(triphenylarsine-κAs)rhodium(I), C25H20AsN2O3Rh
- The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2
- Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S
- Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2N:O)barium(II), C4H10N8O6Ba
- Crystal structure of 2-amino-4-(3-phenoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C22H18N2O3
- Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
- Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2
- Crystal structure of tris(N-nitroso-N-oxyanilino-κ2O, O′) oxidoniobium(V), C18H15N6O7Nb
- Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S
- Crystal structure of diethyl-3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-dicarboxylate, C19H18O4S2
- Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12
- The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine
- Crystal structure of hexaquamanganese(II) bis(hexaborato-κ3O,O′,O′′)manganese(II) dihydrate, B12H28Mn2O34
- Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]
- Crystal structure of 13-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one — dimethylformamide — water (1/2/1), C29H31FN6O4
- Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
- Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
- Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4
- Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4
- Crystal structure of trans-bis(2-methylmaleato-κ2O,O′) bis(piperazinium-κN) cobalt(II) trihydrate, C18H36CoN4O11
- Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O
- Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
- Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2
- Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
- Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
- Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
- Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
- Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
- Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
- Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
- Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
- Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
- Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
- Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
- Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
- Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
- Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
- Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
- Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
- Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
- Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
- Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
- Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
- Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
- Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
- Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
- Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
- Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
- Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
- Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
- Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
- Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5