ABSTRACT: In the title compound, C(13)H(7)NO(4), the 2-furyl ring is essentially planar, with a maximum deviation of 0.004?(1)?Å. It is inclined at an angle of 11.69?(4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72?(8)°. There is a short O?C contact of 2.8562?(8)?Å (symmetry code: -x, -y, 2 - z). In the crystal packing, mol-ecules are linked via a pair of inter-molecular C-H?O hydrogen bonds, giving rise to an R(2) (2)(10) ring motif. Mol-ecules are further linked into two-dimensional networks parallel to  via other inter-molecular C-H?O hydrogen bonds. The crystal structure is consolidated by C-H?? inter-actions.
Project description:In the title compound, C(13)H(8)Br(2)N(2)O(6), the 2-furyl ring is essentially planar, with a maximum deviation of 0.002?(2)?Å. It is inclined at an angle of 33.94?(9)° to the benzene ring. Both nitro groups are slightly twisted away from their attached rings; the dihedral angles are 4.6?(2)° between the nitro group and the 2-furyl ring, and 13.72?(19)° between the nitro group and the benzene ring. In the crystal, mol-ecules are linked into chains along  and  via two pairs of inter-molecular C-H?O hydrogen bonds, displaying R(2) (2)(10) ring motifs.
Project description:In the title compound, C18H14N2O, the dihedral angle between the methyl-phenyl ring and the phthalazone ring system (r.m.s. deviation = 0.034 Å) is 53.93?(9)°. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds, forming chains along . The chains are linked by ?-? inter-actions [centroid-centroid distance 3.6990?(12)?Å], forming layers parallel to (10-1).
Project description:The mol-ecule of the title Schiff base compound, C(15)H(14)N(2)O(5), was obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 2-furyl-carbonyl-hydrazide. In the mol-ecule, the furyl ring makes a dihedral angle of 14.63?(10)° with the benzene ring. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the b axis. Futhermore, weak C-H?O inter-actions connect the chains, forming corrugated layers parallel to (001). The dihedral angle between the rings is 14.63?(10)°.
Project description:There are two geometrically different mol-ecules in the asymmetric unit of the title compound, C(14)H(9)Cl(2)NO(3). The 5-amino-2-hy-droxy-benzoic acid units [r.m.s. deviations of 0.0323 and 0.0414?Å] and 2,6-dichloro-benzaldehyde groups [r.m.s. deviations of 0.0285 and 0.0226?Å] are roughly planar and oriented at dihedral angles of 11.69?(13) and 83.12?(6)° in the two mol-ecules. An intra-molecular O-H?O hydrogen bond completes an S(6) ring motif in each mol-ecule. The two mol-ecules form dimers with each other through inter-molecular O-H?N and C-H?O hydrogen bonds, completing an R(2) (2)(8) ring motif. The dimers are inter-linked via inter-molecular O-H?N and C-H?O hydrogen bonds, forming polymeric sheets.
Project description:In the title mol-ecule, C26H17N3O2, both indole ring systems are essentially planar, with maximum deviations of 0.019?(2) and 0.033?(1)?Å for the N atoms, and form dihedral angles of 34.40?(9) and 45.06?(8)° with the essentially planar pyrrole ring [maximum deviation = 0.020?(2)?Å]. The dihedral angle between the two indole ring systems is 58.78?(6)°. In the crystal, mol-ecules are connected by pairs of N-H?O hydrogen bonds, forming inversion dimers and generating R 2 (2)(8) rings. Weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.983?(2)?Å, are also observed.
Project description:The structure of the title compound, C11H7NO2, is isotypic to that of its homologue, 1-octylindoline-2,3-dione [Qachchachi et al. (2013 ?). Acta Cryst. E69, o1801]. The indoline ring and the two carbonyl O atoms are approximately coplanar, the largest deviation from the mean plane being 0.021?(1)?Å for one of the O atoms. The mean plane through the fused ring system is nearly perpendicular to the propynyl group, as indicated by the N-C-C-C torsion angle of 77.9?(1)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and ?-? inter-actions between benzene rings [inter-centroid distance = 3.5630?(10)?Å], forming a three-dimensional structure.
Project description:In the asymmetric unit of the title compound, C(13)H(11)N(3)OS·0.5H(2)O, there are two independent mol-ecules of 4-benzyl-3-(2-fur-yl)-1H-1,2,4-triazole-5(4H)-thione and a water mol-ecule of hydration. The conformation of the two organic mol-ecules is slightly different, the dihedral angles formed by the furyl and triazole rings being 5.63?(15) and 17.66?(13)°. The water mol-ecule of hydration links three adjacent triazole mol-ecules to form a cluster via inter-molecular O-H?S, N-H?S and N-H?O hydrogen bonds, generating a 10-membered ring of graph set R(3) (3)(10). The crystal structure is further stabilized by intra- and inter-molecular C-H?S, C-H?O and C-H?N hydrogen bonds and by ?-? stacking inter-actions involving the furyl and triazole rings of centrosymmetrically related mol-ecules, with a centroid-centroid separation of 3.470?(2)?Å.
Project description:In the crystal structure of the title compound, C(8)H(6)N(2)O(3), the mol-ecules are linked by a pairs of inter-molecular N-H?O hydrogen bonds, forming inversion dimers. The aldehyde group is in the same plane as the pyrimidine ring [with a maximum deviation of 0.083?(2)?Å for the O atom), and the linear propargyl group [C-C-C = 178.99?(19)°] makes a dihedral angle of 74.36?(13)° with the ring.
Project description:Mol-ecules of the title macrocycle, C(36)H(22)N(4)O(4), are located on an inversion center. The porphyrin ring shows a wave-like conformation with adjacent pyrrole rings tilted above the porphyrin plane and the inter-porphyrin distance is 3.584?(3)?Å. The dihedral angles between the meso-furyl groups and the porphyrin plane are 38.87?(7) and 48.29?(7)°; these are much smaller than those observed for meso-tetra-phenyl-porphyrin, indicating that the meso-furyl groups are more inclined towards the porphyrin plane. The decrease in the dihedral angle is due to the presence of intra-molecular hydro-den bonding between the meso-fury O atom and the ?-pyrrole CH group. Intra-molecular N-H?N hydrogen bonds are also present.
Project description:In the title compound, C14H14O4, the prop-2-yn-yloxy O-C-C C plane [maximum deviation = 0.0116?(12)?Å] forms a dihedral angle of 78.44?(9)° with the benzofuran-3(2H)-one ring system. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming a tape along the a-axis direction. C-H?O inter-actions are observed between the tapes.