Abstract
C60H74CdCl6N12O4, triclinic, P1̄ (no. 2), a = 9.1036(18) Å, b = 13.197(3) Å, c = 15.035(3) Å, α = 93.716(2)°, β = 99.904(2)°, γ = 104.928(2)°, V = 1708.0(6) Å3, Z = 2, Rgt(F) = 0.0258, wRref(F2) = 0.0684, T = 296(2) K.
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.
Data collection and handling.
Crystal: | Colorless block |
Size: | 0.22 × 0.15 × 0.12 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 0.61 mm−1 |
Diffractometer, scan mode: | Bruker APEX-II, φ and ω-scans |
θmax, completeness: | 25.5°, >99% |
N(hkl)measured, N(hkl)unique, Rint: | 13223, 6307, 0.017 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 5840 |
N(param)refined: | 383 |
Programs: | Bruker programs [1], SHELX [2] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
Cd1 | 0.5000 | 1.0000 | 0.0000 | 0.03639(7) |
Cl1 | −0.23120(9) | 1.35273(6) | 0.52676(5) | 0.0929(2) |
Cl2 | −0.57033(10) | 0.52341(6) | 0.35450(7) | 0.1165(3) |
Cl5 | 0.25305(5) | 1.01651(4) | −0.11319(3) | 0.05589(13) |
O1 | 0.05634(15) | 0.96609(10) | 0.23303(9) | 0.0548(3) |
H1A | −0.0121 | 0.9790 | 0.2021 | 0.066* |
O2 | −0.11748(17) | 0.82013(11) | 0.01346(10) | 0.0579(3) |
H2A | −0.1516 | 0.8594 | 0.0436 | 0.087* |
N1 | 0.43798(17) | 1.09239(13) | 0.11890(10) | 0.0481(4) |
N2 | 0.47618(18) | 1.19795(15) | 0.24845(11) | 0.0584(4) |
N3 | 0.32609(16) | 1.13723(12) | 0.22568(9) | 0.0429(3) |
N4 | 0.34688(17) | 0.84504(12) | 0.04255(11) | 0.0498(4) |
N5 | 0.27551(18) | 0.72730(14) | 0.13827(12) | 0.0584(4) |
N6 | 0.14943(16) | 0.75439(11) | 0.09364(10) | 0.0431(3) |
C1 | 0.5363(2) | 1.16666(18) | 0.18243(14) | 0.0599(5) |
H1 | 0.6401 | 1.1939 | 0.1796 | 0.072* |
C2 | 0.3067(2) | 1.07656(15) | 0.14813(12) | 0.0452(4) |
H2 | 0.2134 | 1.0296 | 0.1187 | 0.054* |
C3 | 0.21368(19) | 1.14558(14) | 0.28094(11) | 0.0402(4) |
C4 | 0.2046(2) | 1.24157(15) | 0.30571(12) | 0.0467(4) |
H4 | 0.2756 | 1.3028 | 0.2852 | 0.056* |
C5 | 0.0963(2) | 1.26796(14) | 0.36061(12) | 0.0456(4) |
C6 | 0.1521(3) | 1.33489(16) | 0.44079(14) | 0.0595(5) |
H6 | 0.2585 | 1.3625 | 0.4607 | 0.071* |
C7 | 0.0520(3) | 1.36130(17) | 0.49184(15) | 0.0668(6) |
H7 | 0.0908 | 1.4060 | 0.5459 | 0.080* |
C8 | −0.1042(3) | 1.32136(16) | 0.46234(14) | 0.0579(5) |
C9 | −0.1632(3) | 1.25565(19) | 0.38311(15) | 0.0665(6) |
H9 | −0.2698 | 1.2291 | 0.3633 | 0.080* |
C10 | −0.0622(2) | 1.22912(19) | 0.33266(14) | 0.0619(6) |
H10 | −0.1020 | 1.1842 | 0.2788 | 0.074* |
C11 | 0.1265(2) | 1.04381(14) | 0.30922(12) | 0.0438(4) |
H11 | 0.0429 | 1.0584 | 0.3366 | 0.053* |
C12 | 0.2236(3) | 0.99458(17) | 0.37980(14) | 0.0612(5) |
C13 | 0.3097(4) | 1.0798(2) | 0.45876(17) | 0.0992(10) |
H13A | 0.3593 | 1.0484 | 0.5069 | 0.149* |
H13B | 0.2374 | 1.1118 | 0.4807 | 0.149* |
H13C | 0.3866 | 1.1326 | 0.4382 | 0.149* |
C14 | 0.1105(4) | 0.9065(2) | 0.4146(2) | 0.0940(9) |
H14A | 0.0588 | 0.8517 | 0.3656 | 0.141* |
H14B | 0.0352 | 0.9344 | 0.4377 | 0.141* |
H14C | 0.1663 | 0.8780 | 0.4622 | 0.141* |
C15 | 0.3381(3) | 0.9481(2) | 0.33860(19) | 0.0858(8) |
H15A | 0.4219 | 1.0043 | 0.3282 | 0.129* |
H15B | 0.2858 | 0.9061 | 0.2820 | 0.129* |
H15C | 0.3783 | 0.9047 | 0.3798 | 0.129* |
C16 | 0.1960(2) | 0.82465(15) | 0.03734(13) | 0.0480(4) |
H16 | 0.1311 | 0.8550 | −0.0003 | 0.058* |
C17 | 0.3884(2) | 0.78405(16) | 0.10498(15) | 0.0581(5) |
H17 | 0.4907 | 0.7825 | 0.1232 | 0.070* |
C18 | −0.00033(19) | 0.71639(13) | 0.11715(12) | 0.0416(4) |
C19 | −0.0050(2) | 0.67757(16) | 0.19598(13) | 0.0537(5) |
H19 | 0.0884 | 0.6740 | 0.2303 | 0.064* |
C20 | −0.1462(2) | 0.63927(16) | 0.23444(12) | 0.0517(5) |
C21 | −0.2344(3) | 0.70590(18) | 0.25371(15) | 0.0646(6) |
H21 | −0.2055 | 0.7757 | 0.2415 | 0.078* |
C22 | −0.3642(3) | 0.67068(19) | 0.29060(17) | 0.0718(6) |
H22 | −0.4227 | 0.7161 | 0.3034 | 0.086* |
C23 | −0.4060(3) | 0.56759(18) | 0.30822(15) | 0.0671(6) |
C24 | −0.3207(3) | 0.49961(18) | 0.29139(15) | 0.0659(6) |
H24 | −0.3503 | 0.4301 | 0.3042 | 0.079* |
C25 | −0.1896(3) | 0.53608(17) | 0.25499(14) | 0.0594(5) |
H25 | −0.1299 | 0.4908 | 0.2442 | 0.071* |
C26 | −0.1404(2) | 0.72063(14) | 0.04851(13) | 0.0451(4) |
H26 | −0.2260 | 0.7141 | 0.0813 | 0.054* |
C27 | −0.1956(2) | 0.63130(16) | −0.03128(14) | 0.0548(5) |
C28 | −0.3516(3) | 0.6396(2) | −0.08298(19) | 0.0879(8) |
H28A | −0.3373 | 0.7060 | −0.1076 | 0.132* |
H28B | −0.4229 | 0.6350 | −0.0422 | 0.132* |
H28C | −0.3924 | 0.5831 | −0.1316 | 0.132* |
C29 | −0.2193(4) | 0.52498(18) | 0.00686(18) | 0.0874(8) |
H29A | −0.2582 | 0.4690 | −0.0423 | 0.131* |
H29B | −0.2925 | 0.5194 | 0.0465 | 0.131* |
H29C | −0.1222 | 0.5198 | 0.0403 | 0.131* |
C30 | −0.0832(3) | 0.6410(2) | −0.09681(15) | 0.0739(6) |
H30A | 0.0136 | 0.6325 | −0.0660 | 0.111* |
H30B | −0.0664 | 0.7093 | −0.1181 | 0.111* |
H30C | −0.1263 | 0.5873 | −0.1475 | 0.111* |
Source of materials
The title compound was synthesized by a hydrothermal method. A mixture of (RS)-uniconazole (0.0582 g, 0.2 mmol), CdCl2 ⋅ H2O (0.029 g, 0.1 mmol), ethanol (5 mL) and distilled water (5 mL) was sealed in a Teflon-lined stainless reactor (25 mL) and heated at 90 °C for 72 h, and then cooled to room temperature. The colorless block crystals were filtered and washed with water and ethanol. Yield 80% (based on CdCl2). Elemental Anal. Calcd. (%) for C60H72Cl6CdN6O4 (1350.41): C, 53.29; H, 5.52; N, 12.43. Found (%): C, 52.93; H, 5.55; N, 12.35. IR(KBr, cm−1): 3414.61, 3165.77, 3141.55, 2956.36, 2872.20, 1593.48, 1514.70, 1491.70, 1428.50, 1399.96, 1361.07, 1235.70, 1217.83, 1198.95, 1188.90, 1131.48, 1091.88, 1070.57, 1056.01, 1014.64, 988.28, 976.80, 885.51, 875.02, 845.0, 823.68, 786.30, 705.28, 695.16, 671.12, 648.54, 522.55.
Experimental details
All H atoms were included in calculated positions and refined as riding atoms, with C—H = 0.90–0.97 Å with Uiso(H) = 1.5 Ueq(C) for methyl H atoms and 1.2 Ueq(C) for all other H atoms.
Comment
Uniconazole, [(E)-(RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol] is a highly active fungicide and plant growth regulator with low toxicity. It inhibits the biosynthesis of gibberellin and shows excellent efficacy biological activity and is widely used to protect crops, such as rice, wheat, soybean, peanut, rapeseed, apple [3], [4], [5], [6], [7], [8], [9], [10]. Because of its strong antimicrobial activities and its wide applications, the synthesis and applications of triazole pesticides and its derivatives have attracted much attention, but the complexes of triazole pesticides are still rare [11]. We still focused on the synthesis and antibacterial activities of complexes assembled by triazole fungicides. We have already reported a series of crystal structures and antibacterial activities of diniconazole complexes [12], [13], [14], [15], [16], [17], [18]. In order to study the antimicrobial activities of triazole fungicides complexes more systematically and comprehensively, to find new antibactericidal complexes with the efficiency, broad-spectrum and low toxicity. Herein we report the synthesis and crystal structure of a new cadmium(II) complex incorporating uniconazole.
The asymmetric unit of the title compound, [Cd(C15H18ClN3O)4Cl2], consists of one half of the title complex. The Cd atom lies on an inversion center and has a slightly distorted octahedral geometry. The equatorial positions are occupied by four N atoms from four uniconazole ligands. The axial sites are occupied by two chlorido ligands (cf. the figure). The Cd—N distances are 2.3281(15) and 2.3541(15) Å and Cd—Cl is 2.6424(6) Å. In the crystal packing, intermolecular O—H⋯Cl hydrogen bonds link the molecules into chains along the a axis. The structure of the title compound is isostructural to previously reported zinc(II) complex [18].
Acknowledgements
X-ray data were collected at Instrumental Analysis Center Nanchang Hangkong University, Nanchang 330063, People’s Republic of China. This work was supported by the Research Foundation of Educational Department of Jiangxi Province [GJJ170274, 160382] and the the Research Foundation of company [9131206709].
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©2018 Jian-Ping Huang et al., published by De Gruyter, Berlin/Boston
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Articles in the same Issue
- Cover and Frontmatter
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- Crystal structure of catena-poly[bromido-(μ2-pyrazine-2-carboxylato-κ3N:N′,O)copper(II)], C10H6N4Cu2O4Br
- Crystal structure of poly[dodekais(μ2-2,6-difluorobenzoato-κ2O:O′)-bis((μ3-hexamethylenetetramine-κ3N:N′:N′′)hexacopper(II)], C48H30N4O12F12Cu3
- Crystal structure of methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H18N2O6
- Crystal structure of N-phenyl-2-(propan-2-ylidene)hydrazine-1-carbothioamide, C10H13N3S
- Crystal structure of sodium caesium zinc phosphate, NaCsZnP2O7
- Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3
- Crystal structure of catena-poly[bis(μ2-1,3-di(4H-1,2,4-triazol-4-yl)benzene-κ2N:N′)-bis(thiocyanato-κ1N)cobalt(II), C22H16CoN14S2
- Crystal structure of catena-poly[(μ2-2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ2N:N′)-bis(2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ1N)-bis(thiocyanato-κ1N)cobalt(II)], C38H24CoN14S5
- Crystal structure of bis(2,5-di(pyridin-2-yl)-1,3,4-thiadiazole-κ2N,N′)-bis(thiocyanato-κ1N)cobalt(II), C26H16CoN10S4
- Crystal structure of (bis((1H-benzo[d]imidazol2-yl)methyl)amine-κ3N,N′,N′′)-(pyridine-2,6-dicarboxylato-κ3N,O,O′)zinc(II) — methanol — water (1/2/1), C25H28N6O7Zn
- Crystal structure of catena-poly[triaqua-(μ2-5-methoxy-isophthalato-κ2O:O′)copper(II)], C9H12CuO8
- Structure and photochromism of 1-[2-methyl-5-phenyl-3-thienyl]-2-[2-methyl-5-(4-chlorophenyl)-3-thienyl]3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16ClF6S2
- Crystal structure of methyl 4-(3-phenoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C26H27NO4
- Crystal structure of poly[diaqua-di-μ2-hydroxido-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′:O′′′)-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ5O,O:O′:O′′:O′′′)disamarium(III)] – bipyridine (2/1), C21H11NF16O12Sm2
- Crystal structural of diethyl 4-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C19H21Br2NO5
- Crystal structure of catena-poly[tetraaqua(μ2-4-(1H-imidazol-1-yl)pyridine-κ2N:N′))zinc(II)] thiophene-2,5-dicarboxylate, C14H17N3O8ZnS
- Crystal structure of (20S)-20-(dimethylamino)-3-(tigloylamino)-5α-pregn-2,16-dien-4-one, C28H42N2O2
- Crystal structure of rac-trans-N,N′-bis(3,5-diiodosalicylidene)-1,2-cyclohexanediamine, C20H18I4N2O2
- Crystal structure of 2-bromo-7-(4-(dimethylamino)phenyl)-10-methylacridin-9 (10H)-one, C22H19BrN2O
- Crystal structure of catena-poly[(μ2-pentane-1,5-dicarboxylato-κ2O:O′)-(μ2-2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κ2N:N′)zinc(II)] sesquihydrate, C17H21N4O5.5Zn
- Crystal structure of ethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C21H15F2NO5
- Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S
- Crystal structure of [5,5′-((propane-1,3-diylbis(azanylylidene))bis(ethan-1-yl-2-ylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4N,N′,N′′,N′′′]nickel(II), C23H30N4O4Ni
- Crystal structure of (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazineyl) terephthalic acid-dimethylsulfoxide (1/1), C18H15N3O6 ⋅ C2H6OS
- Crystal structure of (2E,4Z)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate, C14H15N1O4
- Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4
- Crystal structure of ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C21H16BrNO5
- Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2O:O′)-bis(pivalato-κ2O,O′)-tetrakis(1,10-phenanthroline-κ2N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22
- Crystal structure of catena-poly[aqua-bis(formato-κ1O)-(μ2-1,1′-(oxybis(1,4-phenylene))-bis(1H-1,2,4-triazole)-κ2N:N′)copper(II)]hydrate, C18H16CuN6O6
- Crystal structure of 5-bromo-2-(naphthalen-6-yl)pyridine, C15H10BrN
- Crystal structure of N-(4-methoxybenzyl)pyridazin-3-amine- a rare Z′ = 4 structure, C12H13N3O
- Crystal structure of bis(perchlorato-κ1O)-bis(3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide-κ2N,O)copper(II), C32H30Cl2CuN4O16
- Crystal structure of methyl 4-methyl-2,5-di(pyridin-4-yl)-1H-pyrrole-3-carboxylate monohydrate C17H15N3O2⋅H2O
- Crystal structure of dimethyl 5-(10-(methoxycarbonyl)anthracen-9-yl) isophthalate,C26H20O6
- Crystal structure of tert-butyl (R)-(1-(benzylamino)-3-methoxy-1-oxopropan-2-yl)carbamate, C16H24N2O4
- Crystal structure of aqua-bis(1,5-dimethyl-2-phenyl-4-(((E)-4-pyridylmethylene)amino)pyrazolidin-3-one-κN)-(nitrato-κO)-(nitrato-κ2O,O′)zinc(II), C34H34N10O9Zn
- Crystal structure of catena-poly[dichlorido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O)cobalt(II)] – methanol (1/1), C18H20Cl2CoN4O2
- Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12
- The crystal structure of 4-((3,4-dichlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, C18H15Cl2N3O
- Crystal structure of bis(2-methoxy-6-((2-(pyrimidin-2-yl)hydrazono)methyl)phenolato-κ3N,N′,O)iron(III) perchlorate, C24H22N8O8ClFe
- The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4
- Crystal structure of diaqua-bis(3,3-dimethylacrylato-κ2O,O′)zinc(II), C10H18ZnO6
- Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4
- Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3
- Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-((pyridin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C32H31N5O2
- The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O
- Crystal structure of (2,2′-bipyridine-κ2N,N′)bis(tri(p-tolyl)phosphine-κP)copper(I) tetrafluoroborate – 4,4′-bipyridine (2/1), C57H54BCuF4N3P2
- The crystal structure of 2,6-dimethyl-3,5-dinitrocyclohexa-2,5-diene-1,4-dione, C8H6N2O6
- The crystal structure of 2,3-dimethyl-1,4-dinitrobenzene – a Z′ = 4 structure, C8H8N2O4
- Crystal structure of [(1,2-η)-1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl] (1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-κ6N2,O4) rubidium (I), [Rb(diaza-18-crown-6)]Cp*, C22H41N2O4Rb
- Crystal structure of 2-(4-fluorophenyl)-N-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5), C23.5H23FN2O2S
- Crystal structure of pyrene-4-aldehyde, C17H10O
- Crystal structure of 2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxylic acid, C10H12O5
- Crystal structure of 2-(4-chlorophenyl)-3-phenyl-1,8-naphthyridine, C20H13N2Cl
- Crystal structure and photochromism of 1-(2-ethyl-5-formylthiophen-3yl)-2-(2-cyano-1,5-dimethyl-4-pyrrl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C19H14F6N2OS
- Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16BrIN2
- Crystal structure of 2-(4-(dimethylamino)phenyl)-10-methylacridin-9(10H)-one, C22H20N2O
- Crystal structure of 4-(acetoxymethyl)-6-(3-acetyl-3-(4-fluorophenyl)thioureido)cyclohex-4-ene-1,2,3-triyl triacetate, C24H26FN2O9S
Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of bis(6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-diiodophenolato)-κ4N,N′,O,O′)cer(IV), C32H20CeI8N4O4
- Crystal structure of (6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato-κ2N,O))copper(II), C16H12Cl2CuN2O2
- Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:O′)samarium(III)], C26H18N2O9Sm
- Crystal structure of 1-{4-[(2-hydroxy-5-nitrobenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15N3O4
- Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)-bis(μ2-1-(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6O:O,N,N′,O′:O′)trizinc(II), C44H38Zn3N4O12
- Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)–bis(μ2–(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6O:O,N,N′,O′:O′)tricobalt(II), C44H38Co3N4O12
- Crystal structure of poly[aqua(μ4-2,2′,2′′-nitrilotriacetato-κ6O1,O3,O5:O2:O4:O6)-yttrium(III)], C6H8NO7Y
- Crystal structure of catena-poly[bromido-(μ2-pyrazine-2-carboxylato-κ3N:N′,O)copper(II)], C10H6N4Cu2O4Br
- Crystal structure of poly[dodekais(μ2-2,6-difluorobenzoato-κ2O:O′)-bis((μ3-hexamethylenetetramine-κ3N:N′:N′′)hexacopper(II)], C48H30N4O12F12Cu3
- Crystal structure of methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H18N2O6
- Crystal structure of N-phenyl-2-(propan-2-ylidene)hydrazine-1-carbothioamide, C10H13N3S
- Crystal structure of sodium caesium zinc phosphate, NaCsZnP2O7
- Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3
- Crystal structure of catena-poly[bis(μ2-1,3-di(4H-1,2,4-triazol-4-yl)benzene-κ2N:N′)-bis(thiocyanato-κ1N)cobalt(II), C22H16CoN14S2
- Crystal structure of catena-poly[(μ2-2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ2N:N′)-bis(2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ1N)-bis(thiocyanato-κ1N)cobalt(II)], C38H24CoN14S5
- Crystal structure of bis(2,5-di(pyridin-2-yl)-1,3,4-thiadiazole-κ2N,N′)-bis(thiocyanato-κ1N)cobalt(II), C26H16CoN10S4
- Crystal structure of (bis((1H-benzo[d]imidazol2-yl)methyl)amine-κ3N,N′,N′′)-(pyridine-2,6-dicarboxylato-κ3N,O,O′)zinc(II) — methanol — water (1/2/1), C25H28N6O7Zn
- Crystal structure of catena-poly[triaqua-(μ2-5-methoxy-isophthalato-κ2O:O′)copper(II)], C9H12CuO8
- Structure and photochromism of 1-[2-methyl-5-phenyl-3-thienyl]-2-[2-methyl-5-(4-chlorophenyl)-3-thienyl]3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16ClF6S2
- Crystal structure of methyl 4-(3-phenoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C26H27NO4
- Crystal structure of poly[diaqua-di-μ2-hydroxido-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ4O:O′:O′′:O′′′)-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ5O,O:O′:O′′:O′′′)disamarium(III)] – bipyridine (2/1), C21H11NF16O12Sm2
- Crystal structural of diethyl 4-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C19H21Br2NO5
- Crystal structure of catena-poly[tetraaqua(μ2-4-(1H-imidazol-1-yl)pyridine-κ2N:N′))zinc(II)] thiophene-2,5-dicarboxylate, C14H17N3O8ZnS
- Crystal structure of (20S)-20-(dimethylamino)-3-(tigloylamino)-5α-pregn-2,16-dien-4-one, C28H42N2O2
- Crystal structure of rac-trans-N,N′-bis(3,5-diiodosalicylidene)-1,2-cyclohexanediamine, C20H18I4N2O2
- Crystal structure of 2-bromo-7-(4-(dimethylamino)phenyl)-10-methylacridin-9 (10H)-one, C22H19BrN2O
- Crystal structure of catena-poly[(μ2-pentane-1,5-dicarboxylato-κ2O:O′)-(μ2-2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κ2N:N′)zinc(II)] sesquihydrate, C17H21N4O5.5Zn
- Crystal structure of ethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C21H15F2NO5
- Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S
- Crystal structure of [5,5′-((propane-1,3-diylbis(azanylylidene))bis(ethan-1-yl-2-ylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4N,N′,N′′,N′′′]nickel(II), C23H30N4O4Ni
- Crystal structure of (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazineyl) terephthalic acid-dimethylsulfoxide (1/1), C18H15N3O6 ⋅ C2H6OS
- Crystal structure of (2E,4Z)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate, C14H15N1O4
- Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4
- Crystal structure of ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C21H16BrNO5
- Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2O:O′)-bis(pivalato-κ2O,O′)-tetrakis(1,10-phenanthroline-κ2N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22
- Crystal structure of catena-poly[aqua-bis(formato-κ1O)-(μ2-1,1′-(oxybis(1,4-phenylene))-bis(1H-1,2,4-triazole)-κ2N:N′)copper(II)]hydrate, C18H16CuN6O6
- Crystal structure of 5-bromo-2-(naphthalen-6-yl)pyridine, C15H10BrN
- Crystal structure of N-(4-methoxybenzyl)pyridazin-3-amine- a rare Z′ = 4 structure, C12H13N3O
- Crystal structure of bis(perchlorato-κ1O)-bis(3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide-κ2N,O)copper(II), C32H30Cl2CuN4O16
- Crystal structure of methyl 4-methyl-2,5-di(pyridin-4-yl)-1H-pyrrole-3-carboxylate monohydrate C17H15N3O2⋅H2O
- Crystal structure of dimethyl 5-(10-(methoxycarbonyl)anthracen-9-yl) isophthalate,C26H20O6
- Crystal structure of tert-butyl (R)-(1-(benzylamino)-3-methoxy-1-oxopropan-2-yl)carbamate, C16H24N2O4
- Crystal structure of aqua-bis(1,5-dimethyl-2-phenyl-4-(((E)-4-pyridylmethylene)amino)pyrazolidin-3-one-κN)-(nitrato-κO)-(nitrato-κ2O,O′)zinc(II), C34H34N10O9Zn
- Crystal structure of catena-poly[dichlorido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O)cobalt(II)] – methanol (1/1), C18H20Cl2CoN4O2
- Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12
- The crystal structure of 4-((3,4-dichlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, C18H15Cl2N3O
- Crystal structure of bis(2-methoxy-6-((2-(pyrimidin-2-yl)hydrazono)methyl)phenolato-κ3N,N′,O)iron(III) perchlorate, C24H22N8O8ClFe
- The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4
- Crystal structure of diaqua-bis(3,3-dimethylacrylato-κ2O,O′)zinc(II), C10H18ZnO6
- Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4
- Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3
- Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-((pyridin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C32H31N5O2
- The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O
- Crystal structure of (2,2′-bipyridine-κ2N,N′)bis(tri(p-tolyl)phosphine-κP)copper(I) tetrafluoroborate – 4,4′-bipyridine (2/1), C57H54BCuF4N3P2
- The crystal structure of 2,6-dimethyl-3,5-dinitrocyclohexa-2,5-diene-1,4-dione, C8H6N2O6
- The crystal structure of 2,3-dimethyl-1,4-dinitrobenzene – a Z′ = 4 structure, C8H8N2O4
- Crystal structure of [(1,2-η)-1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl] (1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-κ6N2,O4) rubidium (I), [Rb(diaza-18-crown-6)]Cp*, C22H41N2O4Rb
- Crystal structure of 2-(4-fluorophenyl)-N-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5), C23.5H23FN2O2S
- Crystal structure of pyrene-4-aldehyde, C17H10O
- Crystal structure of 2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxylic acid, C10H12O5
- Crystal structure of 2-(4-chlorophenyl)-3-phenyl-1,8-naphthyridine, C20H13N2Cl
- Crystal structure and photochromism of 1-(2-ethyl-5-formylthiophen-3yl)-2-(2-cyano-1,5-dimethyl-4-pyrrl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C19H14F6N2OS
- Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16BrIN2
- Crystal structure of 2-(4-(dimethylamino)phenyl)-10-methylacridin-9(10H)-one, C22H20N2O
- Crystal structure of 4-(acetoxymethyl)-6-(3-acetyl-3-(4-fluorophenyl)thioureido)cyclohex-4-ene-1,2,3-triyl triacetate, C24H26FN2O9S