1,726 research outputs found

    (E)-4-[(5-Methyl-2-fur­yl)methyl­ene­amino]benzene­sulfonic acid

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    The title compound, C12H11NO4S, is a Schiff base derived from the condensation reaction of equimolar quanti­ties of sulfamide and furfural. The mol­ecule has a trans configuration with respect to the imine C=N double bond. The N atom is involved in an inter­molecular O—H—N hydrogen bond

    4,4′-[(1,3,4-Thia­diazole-2,5-di­yl)bis­(thio­methyl­ene)]dibenzonitrile

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    The title mol­ecule, C18H12N4S3, consists of three essentially planar fragments, viz. two methyl-substituted benzonitrile rings and a substituted thia­diazole ring. The dihedral angles between the substituted benzonitrile rings and the central thia­diazole ring are 28.29 (10) and 78.83 (6)°, and the dihedral angle between the two benzonitrile rings is 72.89 (7)°

    Bis(1-benzyl­piperazine-1,4-diium) hexa­chloridocadmate(II) dihydrate

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    The asymmetric unit of the title compound, (C11H18N2)2[CdCl6]·2H2O, consists of one 1-benzyl­piperazine-1,4-diium dication, one water mol­ecule and one-half of a [CdCl6]4− anion, located on an inversion centre. The crystal packing is governed by an extensive three-dimensional network of inter­molecular O—H⋯Cl, C—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonds, two of them bifurcated

    N-Methyl­isosalsoline from Hammada scoparia

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    The title compound (systematic name: 1,2-dimethyl-6-meth­oxy-1,2,3,4-tetra­hydro­isoquinolin-7-ol), C12H17NO2, is a major alkaloid isolated from Hammada scoparia leaves. It belongs to the isoquinoline family and it was characterized by NMR spectroscopy and X-ray crystallographic techniques. The absolute configuration could not be reliably determined. An intermolecular O—H⋯N hydrogen bond is present in the crystal structure

    n-Undeca­nyl 2-(4-bromo­anilino)-4,4-dimethyl-6-oxocyclo­hex-1-ene­carbodithio­ate

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    The six-membered cyclo­hexene ring in the title compound, C26H38BrNOS2, adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.651 (3) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.051 Å). The mol­ecular conformation is stabilized by an N—H⋯S hydrogen bond. The title compound is isomorphous with n-undeca­nyl 2-(4-chloro­anilino)-4,4-dimethyl-6-oxocyclo­hex-1-enecarbodithio­ate

    3-Bromo-6-nitro-1-(prop-2-yn­yl)-1H-indazole

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    In the title compound, C10H6BrN3O2, the indazole fused-ring system is nearly planar (r.m.s. deviation = 0.008 Å); its nitro substituent is nearly coplanar with the fused ring [dihedral angle = 4.5 (2)°]. In the crystal, adjacent mol­ecules are linked by weak acetyl­ene–nitro C—H⋯O hydrogen bonds, generating a helical chain running along the b axis

    catena-Poly[[tetra­kis(μ2-acetato-κ2 O:O′)dicopper(II)(Cu—Cu)]-μ2-acetato-κ2 O:O′-[bis­[μ2-3-(dimethyl­amino)propan-1-olato]-κ2 N,O:O;κ2 O:N,O-bis­[(tetra­hydro­furan-κO)copper(II)]]-μ2-acetato-κ2 O:O′]

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    The title complex, [Cu4(C5H12NO)2(C2H3O2)6(C4H8O)2]n, consists of dinuclear [Cu2(C5H12NO)2(THF)2] (THF is tetra­hydro­furan) and [Cu2(CH3COO)4] units linked through acetate ions, generating parallel one-dimensional polymeric chains propagating in the [10] direction. In the first dinuclear unit, CuII ions related by inversion symmetry are bridged by two 3-(dimethyl­amino)propan-1-olate ligands. Likewise, a pair of inversion-related CuII ions are bridged by four acetate groups. The crystallographically independent Cu centers are linked to one another by a single bridging acetate group, generating an infinite chain. The distorted square-pyramidal coordination of the first metal center is completed with an apical THF mol­ecule, with a long Cu—O bond length of 2.476 (5) Å. The geometry around the other metal atom is close to octa­hedral, and the Cu⋯Cu separation in this unit is 2.652 (1) Å. The distance between the metal centers in the first dinuclear unit is considerably longer [3.068 (1) Å], suggesting little or no bonding inter­action. The Cu⋯Cu separation between two acetate-bridged independent Cu centers is 4.860 (2) Å. The THF mol­ecule has methyl­ene groups disordered over two positions, with occupancies of 0.608 (13) and 0.392 (13)

    2-Hydroxy­ethyl 2-(2,4-dichloro­anilino)-4,4-dimethyl-6-oxocyclo­hex-1-ene­carbo­dithio­ate

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    The six-membered cyclo­hexene ring in the title compound, C17H19Cl2NOS2, adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.716 (3) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.072 Å). The mol­ecular conformation is stabilized by an intra­molecular N—H⋯S hydrogen bond. The hydr­oxy group engages in inter­molecular O—H⋯O hydrogen bonding with adjacent acceptor atoms to generate a zigzag chain running along the c axis

    n-Undeca­nyl 2-(4-chloro­anilino)-4,4-dimethyl-6-oxocyclo­hex-1-ene­carbo­dithio­ate

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    The six-membered cyclo­hexene ring in the title compound, C26H38ClNOS2, adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.642 (4) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.053 Å). The mol­ecular conformation is stabilized by an intra­molecular N—H⋯S hydrogen bond

    2-Chloro-5-nitro­pyridine

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    The non-H atoms of the title compound, C5H3ClN2O2, almost lie in a common plane (r.m.s. deviation = 0.090 Å). In the crystal, adjacent mol­ecules feature a short Cl⋯O contact [3.068 (4) Å], forming a chain; these chains are consolidated into a layer structure by non-classical C—H⋯O inter­actions
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