Project description:In the title compound, C(10)H(9)N(3), the benzimidazol-2-amine and CH(2)-C CH units are not coplanar, with a dihedral angle of 60.36° between their mean planes. The crystal structure is stabilized by inter-molecular N-H⋯N hydrogen bonding and π-π inter-actions [centroid-centroid distances 3.677 (1) and 3.580 (1) Å], assembling the mol-ecules into a supra-molecular structure with a three-dimensional network.
Project description:In the title compound, C(13)H(18)O(3)SSi, the SO(3) group displays a partial rotational (ca 50°) disorder about the C-S bond, with relative proportions 0.7744 (13):0.2256 (13). This disorder also forces the propynyl CH(2) group to be disordered.
Project description:The title compound was synthesized in the course of the total synthesis of fusaequisin A in order to verify and confirm the configurations of the stereogenic centers and to exclude the possibility of epimerization during the methylation process. The absolute configuration was determined by anomalous dispersion and agrees with the configuration of the allylic alcohol used in the synthesis. The title compound, C16H20O4, was synthesized in the course of the total synthesis of fusaequisin A in order to verify and confirm the configurations of the stereogenic centers and to exclude the possibility of epimerization during the methylation process. The crystal structure of the title compound at 100 K has orthorhombic (P212121) symmetry. The absolute configuration was determined by anomalous dispersion and agrees with the configuration of the allylic alcohol used in the synthesis.
Project description:In the crystal structure of the title compound, C(11)H(13)ClO(3), inter-molecular C-H?O hydrogen bonds link the mol-ecules into zigzag chains along the c axis.
Project description:The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol-ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581 (6):0.419 (6). Intra-molecular C-H⋯O inter-actions help to establish the mol-ecular conformations: in one mol-ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0 (2)°, whereas in the other mol-ecule it is 36.12 (17)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O and C-H⋯π inter-actions.
Project description:The molecule of the title compound, C(12)H(8)ClF(3)N(4)O, is twisted as indicated by the C-O-C-C torsion angle of 76.9 (3)°. Moreover, the trifluoro-methyl group shows rotational disorder of the F atoms, with site-occupancy factors of 0.653 (6) and 0.347 (6). The dihedral angle between the rings is 1.88 (12) Å.
Project description:In the title compound, C17H16O3, the benzene rings are twisted by 63.54?(5)°. The twist is similar to that found in the unsubstituted compound, phenyl benzoate. The crystal packing features C-H?O hydrogen bonds.
Project description:The asymmetric unit of the title compound, C(12)H(16)ClNO(4), contains two crystallographically independent mol-ecules. The benzene rings of the two independent mol-ecules are oriented at a dihedral angle of 88.50?(3)°. Intra-molecular N-H?O hydrogen bonds involving the methoxybenzoate carbonyl group in each molecule result in the formation of two planar, six-membered rings, oriented at dihedral angles of 1.39?(3) and 0.68?(3)° with respect to the adjacent benzene rings. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the a axis.
Project description:The asymmetric unit of the title compound, C(12)H(14)ClNO(6), contains two crystallographically independent mol-ecules, in which the benzene rings are oriented at a dihedral angle of 9.12 (3)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.