The charge-transfer complex 1-amino-anthraquinone-7,7',8,8'-tetra-cyano-quinodimethane (1/1).
ABSTRACT: The reaction of 1-amino-anthraquinone with 7,7',8,8'-tetra-cyano-quinodimethane yielded the title charge-transfer complex, C(14)H(9)NO(2)·C(12)H(4)N(4). The mol-ecules have maximum deviations from the mean planes through the non-H atoms of 0.0769?(14)?Å for an oxo O atom and 0.1175?(17)?Å for a cyano N atom, respectively. The dihedral angle between the two planes is 3.55?(3)°. In the crystal, mol-ecules are stacked into columns along the a-axis direction. Pairs of N-H?N and N-H?O inter-actions connect the mol-ecules perpendicular to the stacking direction. Additionally, an intra-molecular N-H?O hydrogen-bond inter-action is observed for 1-amino-anthraquinone.
Project description:The mol-ecules of the title compound, C(27)H(28)O(2), exhibit axial chirality. The planes of the aromatic rings of the tetra-lin ring systems make an angle of 85.72?(11)°. The non-aromatic rings adopt distorted half-chair conformations. In one of them, two C atoms of the four-atom aliphatic chain are disordered over two sites in a 0.75?(2):0.25?(2) ratio. The substituent phenyl ring is also disordered over two positions in a 0.59?(3):0.41?(3) ratio. There are no conventional hydrogen bonds joining the mol-ecules.
Project description:In the title mol-ecule, C(24)H(22)O(8), the mean planes of the two coumarin units are inclined to each other at a dihedral angle of 79.93?(3)°. The attached meth-oxy groups form torsion angles of 7.65?(19) and 78.36?(14)° with respect to one coumarin unit, and angles of 9.01?(16) and 99.08?(11)° with respect to the other coumarin unit. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds connect pairs of mol-ecules to form dimers, generating R(2) (2)(16) and R(2) (2)(18) rings; the dimers are linked by further weak inter-molecular C-H?O hydrogen bonds, forming extended chains. Additional stabil-ization is provided by weak C-H?? inter-actions.
Project description:The title co-crystal, C8H3Br2NO2·0.5C14H10, was self-assembled from a 2:1 mixture of the components in slowly evaporating di-chloro-methane. The mol-ecules adopt a sheet structure parallel to (1-12) in which carb-oxy hydrogen-bonded dimers and anthracene mol-ecules stagger in both dimensions. Within the sheets, six individual cyano acid mol-ecules surround each anthracene mol-ecule. Cyano acid mol-ecules form one of the two possible R22(10) rings between neighboring cyano and bromo groups. Compared to the di-chloro analog [Britton (2012 ?). J. Chem. Crystallogr.42, 851-855], the dihedral angle between the best-fit planes of acid and anthracene mol-ecules has decreased from 7.1 to 0.9?(2)°.
Project description:The backbone of the title mol-ecule, C(26)H(25)BrN(4)O, is approximately planar: the dihedral angle between the planes of the indoline ring system and the furan ring is 7.68?(14)°. In the crystal, layers lying parallel to (10) occur, with the mol-ecules inter-acting via weak C-H?N(cyano) and C-H?Br bonds and short N(cyano)?Br contacts [3.345?(4)?Å].
Project description:The asymmetric unit of the title compound, C11H8N2O2, contains two independent mol-ecules (A and B). Each mol-ecule is build up from fused five- and six-membered rings with the former linked to a cyano-ethyl group. The indoline ring and two carbonyl O atoms of each mol-ecule are nearly coplanar, with the largest deviations from the mean planes being 0.0198?(9) (mol-ecule A) and 0.0902?(9)?Å (mol-ecule B), each by a carbonyl O atom. The fused ring system is nearly perpendicular to the mean plane passing through the cyano-ethyl chains, as indicated by the dihedral angles between them of 69.72?(9) (mol-ecule A) and 69.15?(9)° (mol-ecule B). In the crystal, mol-ecules are linked by C-H?O and ?-? [inter-centroid distance between inversion-related indoline (A) rings = 3.6804?(7)?Å] inter-actions into a double layer that stacks along the a-axis direction.
Project description:The title compound, C25H24N4O2, adopts a cisoid configuration and has twofold orientational disorder of the 2-hy-droxy-ethyl group. The mol-ecule is twisted from planarity so that the dihedral angle between the terminating indol-2-yl-idene and the furan-2-yl-idene moiety mean planes is 12.75?(7)°. Conformational disorder occurs at the indol-2-yl-idene N atom, which results in two orientations for the hy-droxy-ethyl group [occupancy ratio = 0.896?(2):0.104?(2)], and the hy-droxy O atom of the 2-hy-droxy-ethyl group is located over three sites [occupancy ratio = 0.548?(2):0.348?(2):0.104?(2)]. An intra-molecular C-H?O hydrogen bond involving the lowest occupancy hy-droxy O atom is observed. In the crystal, the mol-ecules pack in parallel dimeric sheets about centres of symmetry, utilizing O-H?N(cyano), C-H?N(cyano) and O-H?O hydrogen bonds, in two sets parallel to (02-1) and (021) planes.
Project description:The title compound, C(29)H(28)N(4)O(2), excluding the hydroxyethyl and methyl groups, is slightly twisted from planarity so that the terminating indol-2-yl-idene and furan-2-yl-idene moiety planes subtend a dihedral angle of 6.27?(8)°. A small inwards fold in the polymethine atom chain is consistent with centrosymmetric dimer formation via O-H?N(cyano) hydrogen bonds. In the crystal, the mol-ecules pack in layers approximately parallel to the (10[Formula: see text]) plane via pairs of O-H?N and C-H?N(cyano) inter-actions.
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:In the title compound, C(20)H(14)N(4)O(2), mol-ecules are linked into chains by N-H?O hydrogen bonds, but the cyano group does not participate in the supra-molecular aggregation. The crystal structure of the compound indicates the presence of a double bond with Z geometry, connecting the imidazolidine and indole units. The dihedral angle between the imidazole and benzene ring planes is 62.45?(4)°.
Project description:In the structure of the title compound, C(9)H(8)N(2)O, the amide group is twisted by a dihedral angle of 21.86?(7)° with respect to the benzene ring, while the planes of the benzene ring and cyano-methyl group form a dihedral angle of 53.13?(11)°. In the crystal structure, mol-ecules are linked via N-H?O hydrogen bonds, forming a chain running parallel to the a axis.