organic compounds
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The molecule of the title compound, C15H14N4O3, is completed by the application of crystallographic twofold symmetry, with the carbonyl group lying on the rotation axis. The molecule is close to planar: the greatest deviation of a torsion angle from 0° is 7.3 (2)° about the bond linking the phenol ring to the rest of the molecule. An intramolecular O—HN(imine) hydrogen bond is formed in each half of the molecule. The carbonyl O atom is anti with respect to the amine H atoms and this allows for the formation of N—HO(hydroxyl) hydrogen bonds in the crystal, which results in supramolecular layers lying parallel to (100).
organic compounds
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There are significant twists in the title compound, C16H15N3O2, as seen in the dihedral angle between the benzene and adjacent but-2-enal group [29.26 (4)°] and between the pyridine ring and amide group [24.79 (6)°]. A twist is also evident around the hydrazine bond [the C—N—N—C torsion angle is −138.25 (13)°]. The conformation about the ethene bond is Z. An intramolecular N—HO hydrogen bond involving the benzoyl O atom and leading to an S(6) motif is formed. Significant delocalization of π-electron density is found in this part of the molecule. In the crystal, helical supramolecular chains aligned along the b axis and mediated by N—HO hydrogen bonds are formed.
organic compounds
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The organic molecule of the title monohydrate, C12H9IN2O3·H2O, features a disordered furyl ring with the major component [site occupancy = 0.575 (18)] having the carbonyl O and furyl O atoms syn, and the other conformation having these atoms anti. The molecule is slightly twisted with the dihedral angle between the benzene and furyl rings being 10.3 (6)° (major component). An intramolecular O—HN(imine) hydrogen bond is formed. In the crystal, the water molecule accepts a hydrogen bond from an amine H atom, and forms two O—HO(carbonyl) hydrogen bonds, thereby linking three different carbohydrazide molecules. The result is a supramolecular layer parallel to (001). The closest contacts between layers are of the type II, at a distance of 3.6986 (6) Å.