Project description:In the title mol-ecular salt, C9H12NO4+·Br-·C9H11NO4, one of the dopa mol-ecules is in the cationic form in which the α-amino group is protonated and the α-carb-oxy-lic acid group is uncharged, while the second dopa mol-ecule is in the zwitterion form. The Br- anion occupies a special position and is located on a twofold rotation axis. The two dopa mol-ecules are inter-connected by short O-H⋯O hydrogen bonds. In the crystal, the various units are linked by O-H⋯O, N-H⋯Br and N-H⋯O hydrogen bonds, forming a three-dimensional framework. The title compound was refined as an inversion twin with an absolute structure parameter of 0.023 (8).
Project description:The title compound, C(14)H(12)O(4), is a deoxy-benzoin derivative in which the dihedral between the carbonyl group and the catechol unit is 5.99?(3)°. The dihedral angle between the two benzene rings is 60.26?(13)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds connect mol-ecules, forming a two-dimensional network. In addition, weak inter-molecular C-H?O hydrogen bonds and C-H?? contacts further stabilize the crystal structure.
Project description:In the title compound, C17H14F2O3, the dihedral angle between the benzene rings is 20.56 (8)° and the H atoms at the central propenone group are trans configured. One of the F atoms is disordered over two positions (occupancy ratio 0.57:0.43) and was refined using a split model. In the crystal, the molecules are linked into centrosymmetrical dimers and are further connected into a three-dimensional network via weak C-H⋯O interactions.
Project description:In the title compound, C(15)H(14)F(2)N(2)O(3), the dihedral angle between the benzene rings is 64.5 (1)°. One F atom is disordered over two meta positions, with occupancy factors of 0.72 and 0.28. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds involving two N-H and one C=O groups of the urea central fragment, leading to a supra-molecular chain along [011].
Project description:In the title compound, C14H10BrF2NO, the dihedral angle between the mean planes of the 4-bromo-phenyl and 3,4-di-fluoro-phenyl rings is 66.4 (1)°. These two planes are twisted by 40.0 (5) and 86.3 (2)°, respectively, from that of the acetamide group. In the crystal, N-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯F inter-actions form infinite chains along [100].
Project description:In the title compound, C14H10ClF2NO, the dihedral angle between the mean planes of the 4-chloro-phenyl and 3,4-di-fluoro-phenyl rings is 65.2 (1)°. These two planes are twisted by 83.5 (5) and 38.9 (9)°, respectively, from that of the acetamide group. In the crystal, N-H⋯O hydrogen bonds form infinite chains along [100]. Weak C-H⋯O and C-H⋯F inter-actions are also observed and stack mol-ecules along the b axis.
Project description:The title compound, C(12)H(16)O(5), is a derivative of β-(3,4-dihydroxy-phen-yl)-α-hydr-oxy acid. The crystal packing is stabilized by inter-molecular O-H⋯O hydrogen bonds.
Project description:In the title mol-ecule, C13H8F2N2, the dihedral angle between the benzimidazole ring system and the di-fluoro-substituted benzene ring is 30.0 (1)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming chains along [010]. In addition, weak C-H⋯F hydrogen bonds connect chains into a two-dimensional network parallel to (001). A weak C-H⋯π inter-action is observed between an H atom of the benzimidazole ring sytem and the π system of the di-fluoro-substituted benzene ring.
Project description:In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring. In the crystal, O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules to form slabs parallel to (100). There are also C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions present within the slabs. The slabs are linked by a pair of inversion-related C-H⋯N hydrogen bonds, involving phthalo-nitrile rings, forming a three-dimensional structure.
Project description:The asymmetric unit of the title hydrated salt, C24H35N2O5 (+)·Cl(-)·2H2O, contains one organic cation that has its protonation site at the amine function, one chloride anion and two lattice water mol-ecules. In the crystal, one pair of lattice water mol-ecules and two chloride anions form a four-membered centrosymmetric hydrogen-bond cycle. In addition, O-H⋯O, N-H⋯O and N-H⋯Cl hydrogen bonds involving the N-H groups, the water mol-ecules and the C=O group are observed. As a result, a hydrogen-bonded layer parallel to (100) is formed. The thickness of such a layer corresponds to the length of the a axis [21.977 (3) Å].