Project description:In the title compound, C(14)H(16)N(2)O(4)·H(2)O, the dihedral angles between the planes of the 4-hydroxy-phenyl and ester groups with the plane of the six-membered tetra-hydro-pyrimidine ring are 87.3?(1) and 75.9?(1)°, respectively. The crystal structure is stabilized by O-H?O and N-H?O hydrogen bonding between the water mol-ecule and the organic functionalities.
Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(11)H(9)ClN(2), with dihedral angles of 41.84?(12) and 49.24?(12)° between the aromatic ring planes. The two mol-ecules form a dimer via a pair of N-H?N hydrogen bonds.
Project description:The mol-ecules in the crystal structure of the title compound, C(20)H(15)NO(2), form inversion dimers connected through the C-H?N and ?-? inter-actions. These dimers are further linked by C-H?? inter-actions. The meth-oxy group is nearly coplanar with the acridine ring system [dihedral angle = 4.5?(1)°], whereas the phen-oxy fragment is nearly perpendicular to it [dihedral angle = 85.0?(1)°]. The mean planes of the acridine ring systems are either parallel or inclined at angles of 14.3?(1), 65.4?(1) and 67.3?(1)° in the crystal.
Project description:The asymmetric unit of the title compound, C(19)H(16)O(3), contains three independent conformers. Each of the three conformers has essentially the same feature of non-coplanar aromatic rings whereby the aroyl group at the 1-position of the naphthalene ring is twisted in a perpendicular manner to the naphthalene ring. The dihedral angles between the benzene ring planes and the naphthalene ring systems are 75.34?(7), 86.47?(7) and 76.55?(6)° in the three conformers. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds.
Project description:The asymmetric unit of the title compound, C(14)H(8)Cl(4)N(2)OS·0.5H(2)O, contains two independent mol-ecules with different conformations with respect to the aromatic ring planes, and one water mol-ecule. The bond lengths and angles are typical of thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The dihedral angles between the two aromatic planes are 66.93?(8) and 60.44?(9)° in the two independent mol-ecules. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and the crystal packing is characterized by N-H?O, O-H?S and O-H?Cl hydrogen bonds.
Project description:The asymmetric unit of the title compound, C(9)H(10)N(4), consists of two mol-ecules in which the dihedral angles between the planes of the imidazole and pyrimidine rings are 4.8?(1) and 2.1?(1)°.
Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(14)H(10)N(2)O: the dihedral angles between their aromatic ring planes are 47.4?(4) and 46.8?(3)°. In the crystal structure, mol-ecules are linked by N-H?N hydrogen bonds from the secondary nitro-gen N-H donor to the tertiary N-atom acceptor of a symmetry-related neighbour, resulting in hydrogen-bonded chains. The two independent chains both propagate in .
Project description:The title compound, C(15)H(14)N(2)O·0.67H(2)O, was prepared by the reaction of 4-acetoamine-benzaldehyde and aniline. The asymmetric unit contains six organic mol-ecules and four water mol-ecules. The dihedral angles between the aromatic ring planes in each organic mol-ecule vary from 42.4?(2) to 53.8?(2)°. In the crystal, an extensive network of inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds link the mol-ecules into  chains.
Project description:The title compound, C(17)H(18)N(2)O(6), crystallizes with two mol-ecules in the asymmetric unit. In both molecules, one of the C-C bonds of the penta-methyl-ene chain connecting the two aromatic rings is in a trans conformation and another displays a gauche conformation. The aromatic rings within each mol-ecule are nearly coplanar [dihedral angles = 3.36?(9) and 4.50?(9)°] and the nitro groups are twisted slightly out of the planes of their attached rings [dihedral angles = 8.16?(3)/6.6?(2) and 4.9?(4)/3.8?(3)°].
Project description:The title compound, C25H24N4O, was prepared from 2-chloro-phenanthroline and hexyl-oxyphenyl-tetra-zole. The main difference between the two independent mol-ecules (A and B) in the asymmetric unit is the orientation of the all-anti-configured hex-yloxy chain: in A the C-O-C-C torsion angle is 175.9?(2)° whereas it is -88.3?(3)° in B. The benzene substitution in the bay of the triazolophenanthroline results in a helical distorsion of the heterocyclic core, the dihedral angles between the mean planes formed by quinoline and benzotriazole ring systems are 13.73?(9) for mol-ecule A and 14.87?(8)° for B. The dihedral angles between the triazole ring and the attached benzene ring are 45.87?(15) in A and 53.93?(14)° in B. The angular annulation of four rings and the benzene substituent results in a helical distortion of the aromatic framework. The crystal is formed from layers composed of centrosymmetric pairs of A 2, B 2 mol-ecules with inter-digitating alkyl chains.