1,726 research outputs found
(E)-4-[(5-Methyl-2-furyl)methyleneamino]benzenesulfonic acid
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
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
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
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
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
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′]
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
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
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
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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