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Acta Crystallographica Section E: Crystallographic Communications
Scopus
ISSN 2056-9890 · International Union of Crystallography · 4.547 artikel di indeks
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Artikel Jurnal
Graphical Fourier-coefficient analysis as a paper-based method for teaching structure factors
The structure factor is a fundamental concept in X-ray crystallography, yet it is often introduced via formal sum expressions that make it difficult to realize its connection to the atomic structure. Therefore, a one-dimensional Fourier analysis method is proposed as an alternative approach for…
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Artikel Jurnal
Crystal structure of tris[4-(3,4-dimethoxythiophen-2-yl)phenyl]amine
In the title compound tris[4-(3,4-dimethoxythiophen-2-yl)phenyl]amine (DMOT-TPA), C36H33NO6S3, the central nitrogen atom shows no pyramidalization, with the three para-phenylene rings arranged in a propeller-like geometry. Each thiophene ring is twisted by about 25–29° relative to the adjacent…
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Artikel Jurnal
Hexakis[dimethyltin(IV) difluoride] potassium iodide, 6Me2SnF2·KI: linear rods of potassium iodide penetrating the pores in planar layers of dimethyltin(IV) difluoride
The hexagonal host–guest title compound, poly[hexakis[[dimethyltin(IV)]-di-μ-fluorido] potassium iodide], {[Sn(CH3)2F2]6·KI}n or (Me2SnF2)6·KI, represents a layer structure of distorted {Me2SnF4/2} octahedra corner-linked via μ2-bonding fluorine atoms. Distortion of the octahedra concerns not only…
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Artikel Jurnal
ZnPCl7: a compositionally and structurally unprecedented metal–phosphorus halide
The synthesis and crystal structure of an unprecedented compound, zinc phosphorus heptachloride or catena-poly[phosphorus tetrachloride [[dichloridozinc]-μ-chlorido]], ZnPCl7 or {[PCl4][ZnCl3]}n, are reported. The reaction of ZnCl2 with PCl5 in a 1:1 molar ratio at 623 K produced single crystals of…
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Artikel Jurnal
Synthesis and structure of {methyl (Z)-2-[4-(dimethylamino)benzylidene]hydrazine-1-carbodithioate-κ2N2,S}bis(triphenylphosphine-κP)copper(I) nitrate carbon tetrachloride monosolvate
In the title compound, [Cu(C11H15N3S2){P(C6H5)3}2]NO3·CCl4, the carbon tetrachloride solvent molecule is presumed to have originated as an impurity in the chloroform solvent used. The coordination environment around the copper(I) ion is a distorted CuNSP2 tetrahedron, with a τ4 structural index of…
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Artikel Jurnal
Synthesis and structure of catena-poly[[[bis(pyridin-2-yl)amine]cadmium(II)]-di-μ2-azido]
In the title compound, [Cd(N3)2(C10H9N3)]n, the cadmium(II) ion displays a distorted CdN6 octahedral geometry arising from one bidentate ligand and four azide ions and forms zigzag polymeric [100] chains via the bridging azide ions, both of which show μ1,1 (end-on) coordination. Adjacent chains are…
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Artikel Jurnal
Crystal structure of catena-poly[[tetraaquamanganese(II)]-μ-1,5-dihydroxynaphthalene-2,6-dicarboxylato]
The title compound, [Mn(H2dondc)(H2O)4]n or [Mn(C12H6O6)(H2O)4]n, was synthesized by the reaction of manganese(II) chloride (MnCl2), 1,5-dihydroxynaphthalene-2,6-dicarboxylic acid (H4dondc) and lithium hydroxide (LiOH). The asymmetric unit comprises half of an MnII ion, half of a…
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Artikel Jurnal
Crystal structure, Hirshfeld surface and crystal void analysis of (1Z)-1-[(E)-2-(2H-1,3-benzodioxol-5-ylmethylidene)hydrazin-1-ylidene]-1,2-dihydrophthalazine
The title compound, C16H12N4O2, crystallizes in the tetragonal space group I41/a with one molecule in the asymmetric unit. The 2H-1,3-benzodioxole ring is almost planar [maximum deviation of −0.039 (3) Å] and makes a dihedral angle of 11.25 (5)° with the 1,2-dihydrophthalazine moiety. An…
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Artikel Jurnal
Crystal structure and Hirshfeld surface analysis, crystal voids, interaction energy calculations and energy frameworks of C-anthracen-9-yl-N-methyl aldonitrone
The title compound (systematic name: 1-anthracen-9-yl-N-methylmethanimine oxide), C16H13NO, contains an almost planar anthracene ring system [r.m.s. deviation = 0.021 (1) Å]. In the crystal, intermolecular bifurcated C—H...O hydrogen bonds link the molecules into infinite chains along the a-axis…
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Artikel Jurnal
Synthesis, crystal structure and Hirshfeld surface analysis of (3aSR,10RS,10aRS)-2-(4-iodophenyl)-1-oxo-5-tosyl-1,2,3,3a,4,5,10,10a-octahydropyrrolo[3,4-b]carbazole-10-carboxylic acid–ethanol (4/1)
The asymmetric unit of the title compound, 4C28H23IN2O5S·C2H6O, contains two crystallographically independent molecules and an ethanol solvent molecule. In the crystal, O—H...O and C—H...O hydrogen bonds link the molecules into a three-dimensional architecture, enclosing R44(23) ring motifs…
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Artikel Jurnal
Synthesis, crystal structure, and Hirshfeld surface analysis of bis{2-[(E)-(p-tolylimino)methyl]benzen-1-olato}palladium
The title compound, [Pd(C14H12NO)2], contains an N,O-bidentate ligand and features a square-planar PdII atom coordinated to two chelating ligands. Each ligand binds through one nitrogen atom and one oxygen donor atom, forming two six-membered chelate rings. The PdII atom lies essentially within the…
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Artikel Jurnal
Synthesis and structure of 9-methyl-1,10-dihydropyrazolo[3,4-a]carbazole
The title carbazole derivative, C14H11N3, was prepared by reacting 1-hydroxy-8-methyl-9H-carbazole-2-carbaldehyde with hydrazine hydrate. In the solid state, the fused-ring system is slightly puckered, the dihedral angle between the planes of the outer rings being 2.24 (7)°. In the crystal…
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Artikel Jurnal
The crystal structure of 2-(3-nitrophenyl)-1H-benzimidazole monohydrate revisited
The crystal structure of 2-(3-nitrophenyl)-1H-benzimidazole monohydrate, C13H9N3O2·H2O, has been investigated by single-crystal X-ray diffraction. The benzimidazole derivative had its structure studied previously, but it was described in the P1 space group [Sudha et al., (2023). J. Mol. Struct…
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Artikel Jurnal
Synthesis and structure of 2,4-bis(2,6-dimethyl-4H-pyran-4-ylidene)-3-oxopentanedinitrile, an unexpected product of a Knoevenagel condensation reaction
The title compound, C19H16N2O3, was the unexpected product of the Knoevenagel condensation between 2,6-dimethyl-γ-pyrone and cyanoacetic acid in the presence of acetic anhydride and piperidine as catalyst. The molecule is formed by two almost planar 2,6-dimethyl-4H-pyran-4-cyanoylidene halves…
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Artikel Jurnal
Synthesis and structure of (7aRS)-4-chloro-6-(4-methylphenyl)-6,7,7a,8-tetrahydro-5H-indeno[5,6-b]furan-5-one, a fused-ring system arising from a new variant of the IMDAV reaction
The asymmetric unit of the title compound, C17H14ClNO2, contains two molecules, a and b, where the hydrobenzene and pyrrole rings are in screw-boat and half-chair conformations, respectively. In the crystal, C—H...O and C—H...Cl hydrogen bonds link the molecules into two-dimensional networks…
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Artikel Jurnal
A second monoclinic polymorph of 2,3-diphenylpyrazine
The title compound, C16H12N2 (I), crystallizes in the space group P21/c with one molecule in the asymmetric unit, in which the dihedral angles between the planes of the pyrazine ring and pendant phenyl rings are 53.12 (3) and 33.28 (3)°. In the crystal, pairwise C—H...N hydrogen bonds link the…
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Artikel Jurnal
Syntheses, crystal structures and Hirshfeld surface analyses of (E)-1-[2,2-dichloro-1-(2,3-dimethoxyphenyl)ethen-1-yl]-2-phenyldiazene and (E)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(2,3-dimethoxyphenyl)ethen-1-yl]diazene
The crystal structures and Hirshfeld surface analyses of two similar azo compounds are reported. (E)-1-[2,2-dichloro-1-(2,3-dimethoxyphenyl)ethen-1-yl]-2-phenyldiazene, C16H14Cl2N2O2, (I), crystallizes in space group P21/c with Z = 4, and…
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Artikel Jurnal
Synthesis and structure of 2-amino-4-nitro-1H-imidazol-3-ium chloride
Single crystals of 2-amino-4-nitro-1H-imidazol-3-ium chloride, C3H5N4O2+·Cl−, were synthesized by slow evaporation and characterized by X-ray diffraction. The crystal structure features a planar imidazolium cation and a chloride anion, forming a three-dimensional supramolecular network via N—H...Cl…
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Artikel Jurnal
Synthesis and crystal structure of ethyl 2-(1,3-benzothiazol-2-yl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carboxylate
The molecule of the title compound, C21H14N2O3S2, is approximately planar except for the terminal carbon atom of the ethyl group. The planarity is promoted by two short intramolecular S...O=C contacts and one intramolecular ‘weak' C—H...O=C hydrogen bond. The two thiazole rings show some…
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Artikel Jurnal
Crystal structure and Hirshfeld surface analyses, interaction energy calculations and energy frameworks of 2-(anthracen-10-yl)-1H-benzo[d]imidazole
The benzimidazole and anthracene moieties in the title compound, C21H14N2, are oriented at a dihedral angle of 46.00 (2)°. In the crystal, N—H...N hydrogen bonds link the molecules into infinite chains along the b-axis direction. In addition, C—H...π interactions contribute to the consolidation of…
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