Project description:In the title compound, C16H8N6O2S2·2C2H6OS, the phenanthroline mol-ecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95 (3):0.047 (3)] mol-ecule of dimethyl sulfoxide. The O atoms of the solvent mol-ecule accept hydrogen bonds from the N-H groups of the five-membered 2,3-di-hydro-1,3,4-oxa-diazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86 (6)°. In the crystal, the mol-ecules are linked by C-H⋯O inter-actions.
Project description:In the title compound, C11H10N2O3, which is a potential bioactive compound, the benzene and oxa-diazole rings are approximately coplanar, with an inter-ring dihedral angle of 4.14 (2)°, while the ester plane is rotated out of the benzene plane [dihedral angle = 82.69 (9)°]. In the crystal, the mol-ecules form layers down the a axis with weak π-π inter-actions between the oxa-diazole and benzene rings [minimum ring centroid separation = 3.7706 (14) Å].
Project description:In the title compound, C(19)H(20)N(2)O(2), the 1,3,4-oxadiazole ring is almost coplanar with the two neighboring benzene rings [dihedral angles = 3.76 (4) and 5.49 (4)°]. In the crystal, mol-ecules are connected by strong inter-molecular O-H⋯N hydrogen bonds, forming chains parallel to the c axis.
Project description:In the title compound, C15H10BrN3O2S, the dihedral angles between the 1,3,4-oxa-diazole ring and the 3-pyridinyl and bromo-benzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the mol-ecules are linked into [100] chains by way of C-H⋯O, C-H⋯N, C-H⋯S hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H⋯H (19.5%), N⋯H (17.3%), C⋯H (15.5%), Br⋯H (11.7%), and O⋯H (11.0%) inter-actions.
Project description:The title compound, [Cu(C(11)H(11)N(4)O(2))(2)], was prepared by solvothermal synthesis using 2-amino-5-(4-methoxy-phen-yl)-1,3,4-oxadiazole and copper sulfate penta-hydrate in an acetonitrile solution. The Cu(II) atom lies on an inversion center and is four-coordinated in a slightly distorted square-planar geometry by four N atoms of the ligands obtained from the formation of a bond between the amine N atom of the oxadiazole mol-ecule and the nitrile C atom of the solvent. In the crystal structure an inter-molecular N-H⋯N hydrogen bond links inversion-related mol-ecules.
Project description:In the title compound, C18H13N3O2·H2O, the oxa-diazole ring forms dihedral angles 7.21?(10) and 21.25?(11)° with the quinoline and benzene rings, respectively. The crystal structure features O-H?N hydrogen bonds and is further consolidated by C-H?O hydrogen-bonding inter-actions involving the water molecule of hydration.
Project description:In the mol-ecule of the title compound, C(17)H(15)N(3)O(3)S·0.5H(2)O, the thia-diazole ring is oriented with respect to the two 2-methoxy-phenyl rings at dihedral angles of 3.70 (3) and 1.74 (2)°. An intra-molecular N-H⋯O hydrogen bond results in the formation of a planar six-membered ring, which is oriented with respect to the thia-diazole ring at a dihedral angle of 1.33 (3)°. Thus, all of the rings are nearly coplanar. In the crystal structure, inter-molecular O-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules.
Project description:In the title compound, C15H12FN3O2, the dihedral angles between the central benzene ring and the pendant benzene and oxa-diazole rings are 45.05 (13) and 15.60 (14)°, respectively. The C atom of the meth-oxy group is roughly coplanar with its attached ring [displacement = 0.178 (4) Å]. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into [010] chains. Weak C-H⋯π inter-actions are also observed.
Project description:The title compound, C12H9N3O2, was obtained as a cyclized oxa-diazole derivative from substituted thio-semicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxa-diazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intra-molecular C-H⋯O contact generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R 2 (2)[8] loops. The dimers are linked by C-H⋯π and π-π inter-actions [range of centroid-centroid distances = 3.291 (2)-3.460 (8) Å], generating a three-dimensional network.
Project description:The title compounds, C18H15N3O4 and C17H14ClN3O3, are heterocyclic 1,3,4-oxa-diazole derivatives which differ from each other in the groups attached to the carbon atoms: a meth-oxy-phenyl ring and a benzo-nitrile group in (I) and a chloro-phenyl ring and an acetamide group in (II). Short intra-molecular C-H⋯O hydrogen bonds occur in both mol-ecules. The crystal structure of (I) features C-H⋯N hydrogen bonds, while in the crystal structure of (II), N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds are observed.