152 research outputs found
(Diaminomethylidene)sulfonium chloride–thiourea (3/2)
The asymetric unit of the title salt, 3CH5N2S+·3Cl−·2CH4N2S, contains two molecules of thiourea, three (diaminomethylidene)sulfonium cations and three chloride anions. The crystal packing is stabilized by N—H⋯Cl, N—H⋯S, S—H⋯Cl and S—H⋯S hydrogen bonds, forming a three-dimensional network
Synthesis of Some New N-protected 2-(Substituted-1H-1,2,3-Triazol-1-yl)glycine Derivatives
We report in this paper the synthesis of some new N-protected 2-(substituted-1H-1,2,3-triazol-1-yl)glycine derivatives through saponification reaction in basic medium. The structures of obtained products were established on the basis of NMR spectroscopy (1H, 13C), MS data and elemental analysis
5-(Pyridin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
In the title compound, C11H9N5O, the pyrazolopyrimidin-4-one ring system is almost planar, with a maximum deviation of 0.0546 (13) Å for the O atom. The crystal packing is stabilized by intermolecular N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonds. In addition, π–π stacking is found between the pyridine ring and the pyrazolopyrimidin-4-one ring systems, with centroid–centroid distances in the range 3.9627 (12)–4.6781 (12) Å
Silver(I) diaquanickel(II) catena-borodiphosphate(V) hydrate, (Ag0.57Ni0.22)Ni(H2O)2[BP2O8]·0.67H2O
The structure framework of the title compound, (Ag0.57Ni0.22)Ni(H2O)2[BP2O8]·0.67H2O, is the same as that of its recently published counterpart AgMg(H2O)2[BP2O8]·H2O. In the title structure, the Ag, Ni, B and one O atom are located on special positions (sites symmetry 2). The structure consists of infinite borophosphate helical [BP2O8]3− ribbons, built up from alternate BO4 and PO4 tetrahedra arranged around the 65 screw axes. The vertex-sharing BO4 and PO4 tetrahedra form a spiral ribbon of four-membered rings in which BO4 and PO4 groups alternate. The ribbons are connected through slightly distorted NiO4(H2O)2 octahedra, four O atoms of which belong to the phosphate groups. The resulting three-dimensional framework is characterized by hexagonal channels running along [001]. However, the main difference between the structures of these two compounds lies in the filling ratio of Wyckoff positions 6a and 6b in the tunnels. Indeed, in this work, the refinement of the occupancy rate of sites 6a and 6b shows that the first is occupied by water at 67% and the second is partially occupied by 56.6% of Ag and 21.6% of Ni. In the AgMg(H2O)2[BP2O8]·H2O structure, these two sites are completely occupied by H2O and Ag+, respectively. The title structure is stabilized by O—H⋯O hydrogen bonds between water molecules and O atoms that are part of the helices
Diethyl 2-{(dibenzylamino)[4-(trifluoromethyl)phenyl]methyl}malonate
The asymmetric unit of the title compound, C29H30F3NO4, contains two independent molecules. In each independent molecule, one of two terminal ethyl groups is disordered over two conformations: the occupancies of major components were fixed at 0.53 and 0.64 in the two molecules. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link molecules into chains propagating along [10]
Ethyl 2-amino-4-phenyl-4H-1-benzothieno[3,2-b]pyran-3-carboxylate
The title heterocyclic compound, C20H17NO3S, was synthesized by condensation of ethyl cyanoacetate with (Z)-2-benzylidenebenzo[b]thiophen-3(2H)-one in the presence of a basic catalyst in ethanol. The phenyl and ester groups make dihedral angles of 77.67 (6) and 8.52 (6)°, respectively, with the benzothienopyran ring system [maximum r.m.s. deviation = 0.1177 (13) Å]. In the crystal, centrosymmetric dimers are formed through pairs of N—H⋯O hydrogen bonds between the amine and ester groups. Intermolecular C—H⋯N hydrogen bonds and C—H⋯π interactions involving the thiophene ring are also observed
4-tert-Butyl-4′-(4-methoxyphenyl)-3′-(4-methylphenyl)-1,2,3,4-tetrahydrospiro[naphthalene-2,5′(4′H)-1,2-oxazol]-1-one
In the title compound, C30H31NO3, the tolyl ring is almost coplanar with the isoxazole ring [dihedral angle = 12.51 (7)°], whereas the methoxyphenyl ring is almost perpendicular to the isoxazole ring [dihedral angle = 89.77 (5)°]. In the crystal, molecules are connected through C—H⋯O hydrogen bonds, forming chains running along the a axis
6-Nitro-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
In the two molecules of the asymmetric unit of the title compound, C12H11N3O4, the seven-membered diazepine ring adopts a boat conformation (with the two phenylene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conformation, makes dihedral angles of 60.47 (10) and 54.69 (9)° with the benzene ring of the benzodiazepine unit in the two molecules. In the crystal, intermolecular N—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.8023 (7)–3.8946 (7) Å] lead to the formation of a three-dimensional framework
1-Allyl-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
The title compound, C20H17N3OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothiazol-2-yl)- and 2-phenyl substituents. The five-membered ring and fused ring system are planar, the r.m.s. deviations being 0.021 and 0.005 Å, respectively. The five-membered ring is aligned at 7.9 (2)° with respect to the fused-ring system. The allyl and phenyl parts of the molecule are both disordered over two positions in a 1:1 ratio. Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal structure
1-(1-Decyl-2-oxoindolin-3-ylidene)thiosemicarbazide
In the title 1-alkylisatin 3-thiosemicarbazone, C19H28N4OS, the imine C=N bond has a Z configuration, whereas the N—N—C=S unit has an E conformation. In the crystal, molecules are connected by N—H⋯O hydrogen bonds, forming zigzag chains running along the b axis
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