ABSTRACT: The title compound, C(24)H(30)N(2)O(6), a Schiff base, adopts an extended conformation in which the meth-oxy groups are essentially coplanar with the aromatic ring to which they are bonded (mean planes fitted through the non-H atoms of each methoxyphenyl group have r.m.s. deviations of 0.078 and 0.044?Å) and the angle between mean planes fitted through the aromatic rings is 87.57?(10)°. An intra-molecular N-H?N hydrogen bond keeps the imine and amide groups essentially coplanar. A mean plane fitted through these groups has an r.m.s. deviation of 0.0545?Å. Additional O-H?O hydrogen bonding parallel with the a axis links the mol-ecules into a hydrogen-bonded chain in the crystal. C-H?O and C-H?? inter-actions are found within the crystal packing. The compound has been assigned the S,S configuration on the basis of the chemical synthesis, which used pure homotopic l-amino acids, and we have no reason to believe that the compound has epimerized.
Project description:In the title compound, C(20)H(16)N(2)OS, the aniline substituent essentially coplanar with the benzothia-zole moiety (with an r.m.s. deviation of all fitted non-H atoms of 0.0612?Å). The phenol group is almost perpendic-ular to the benzothia-zolylaniline group, with an inter-planar angle of 88.36?(2)°. In the crystal, mol-ecules aggregate as centrosymmetric dimers by pairs of O-H?N hydrogen bonds. C-H?O contacts and N-H??(arene) inter-actions also occur.
Project description:The title compound, C(28)H(34)N(2)O(8)S(2), was synthesized as part of a project to develop synthetic routes to analogues of sporidesmins, a class of secondary metabolite produced by the filamentous fungi Chaetomium and Pithomyces sp. The complete molecule is generated by crystallographic inversion symmetry: the methoxy group is essentially coplanar with the benzene ring to which it is bonded, a mean plane fitted through the non-H atoms of the aromatic ring and the meth-oxy group having an r.m.s. deviation of 0.0140?Å. Similarly, the ester group is also essentially planar (r.m.s. deviation of a plane fitted through all non-H atoms is 0.0101?Å). There is only one independent C-H?O inter-action, which links together adjacent mol-ecules into a two-dimensional sheet in the bc plane.
Project description:In the title compound, C22H32O4, the atoms of the methyl ester group and the alk-oxy O atoms are all coplanar with the central aromatic ring, with an r.m.s. deviation of 0.008?Å. Bonds to the methyl-ene and cyclo-hexyl groups are also very close to this plane, so that the mol-ecule is essentially flat, apart from the cyclo-hexyl groups. The mean planes through the cyclo-hexyl groups are tilted by 30.08?(9) and 36.14?(7)° with respect to the central aromatic ring. In the crystal, pairs of mol-ecules linked by C-H?O hydrogen bonds form planar units which are stacked along the a axis, with an average inter-planar distance of 3.549?(2)?Å. Stacking appears to be stabilized by further weak C-H?O hydrogen bonds.
Project description:In the crystal structure of the title compound, C(15)H(16)O(2)S, the thio-phene ring is essentially planar (r.m.s. deviation = 0.006?Å for all non-H atoms) and roughly coplanar with the benzene ring, the dihedral angle between the mean planes of the rings being 4.35?(8)°. An intra-molecular O-H?O hydrogen bond is observed between the OH group and the aldehyde O atom.
Project description:In the title compound, C(11)H(13)N(3)S, two of the C atoms of the cyclo-hexene ring and the methyl group attached to it are disordered over two sets of sites in a 0.544?(2):0.456?(2) ratio. The benzothiene and pyrimidine rings are almost coplanar with an angular tilt of 2.371?(9)° between them. The thio-phene ring is essentially planar (r.m.s. deviation 0.05?Å), while the cyclo-hexene ring in both the major- and minor-occupancy conformers adopts a half-chair conformation. In the crystal structure, pairs of intermolecular N-H?N hydrogen bonds involving the amino groups result in centrosymmetric head-to-head dimers about inversion centres, corresponding to an R(2) (2)(8) graph-set motif. Further, N-H?N hydrogen bonding generates a two-dimensional hydrogen-bonded network perpendicular to the ac plane and running along the diagonal of the ac plane.
Project description:During the formation of the title salt, C(7)H(10)N(+)·C(3)H(3)O(4) (-), an H atom of a carboxyl group was transferred to the amino group. All non-H atoms of the cation are essentially coplanar [r.m.s. deviation = 0.007?(4)?Å]. The mean planes of the carboxyl-ate and carboxyl groups of the anion form a dihedral of 69.67?(1)°. In the crystal, N-H?O and O-H?O hydrogen bonds connect the anions and cations, forming a two-dimensional network parallel to the bc plane.
Project description:In the title compound, C15H12ClNO2S, the indole ring is essentially planar (r.m.s. deviation = 0.0107?Å) and makes a dihedral angle of 85.01?(6)° with the benzene ring. In the crystal, three C-H?O hydrogen bonds result in a hydrogen-bonded spiral running parallel to the c axis.
Project description:In the title compound, C(18)H(15)NO(3), the fused benzopyran and pyridine rings are essentially coplanar [r.m.s. deviation = 0.0533?Å with a maximum deviation of 0.080?(1)?Å for a benzene C atom]. The cyclo-hexa-none ring adopts an envelope conformation with the dimethyl-substituted C atom 0.660?(2)?Å out of the plane formed by the remaining ring atoms (r.m.s. deviation = 0.0305?Å). The dihedral angle between the mean planes of the pyran and cyclo-hexa-none rings is 12.95?(6)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, leading to chains running along .
Project description:The title compound, C(11)H(12)N(2)O(2), was synthesized from the reaction of 6-methyl-pyridin-2-amine and ethyl 3-bromo-2-oxopropionate. In the mol-ecular structure, the six- and five-membered rings are individually almost planar with r.m.s. deviations of 0.003 and 0.002?Å, respectively. The two rings are almost coplanar, the dihedral angle between their planes being 1.4?(3)°. Inter-molecular C-H?O and C-H?N hydrogen bonds are present in the crystal structure.
Project description:The cation of the title compound, C(14)H(15)N(2)O(2) (+)·Cl(-), comprises two almost ideally planar systems, 3-nitro-phenyl (r.m.s. deviation = 0.0117?Å) and 4-methyl-phenyl (r.m.s. deviation = 0.238?Å), separated by the central C-N bond, and with their mean planes inclined to one another by 61.36?(5)°. In the crystal, hydrogen-bonded chains running along  are generated by connecting neighbouring mol-ecules via N-H?Cl hydrogen bonds and consolidated by C-H?Cl and C-H?O inter-actions. Within these chains, fused R(2) (1)(6) and R(3) (2)(10) ring motifs are formed. Parallel chains are further linked into a two-dimensional network parallel to (100) via C-H?O inter-actions.