ABSTRACT: 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 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:The title compound, C(19)H(20)N(4)O, crystallizes as twinned crystals containing two independent mol-ecules which pack into a three-dimensional matrix via several C-H?N(cyano) inter-actions, with a C?N range of 3.324?(8)-3.568?(8)?Å and C-H?N angles in the range 147-166°.
Project description:The structure of the title compound, C(18)H(18)N(4)O·CH(2)Cl(2), was solved using data collected from a multiple crystal (note high R factors). The crystal structure is dominated by two bifurcated attractive C-H?N(cyano) inter-actions.
Project description:The title compound, C(20)H(20)N(4)O, is packed into a three-dimensional 'herringbone' matrix using two different types of attractive C-H?N(cyano) inter-actions. The bond-length alternation, caused by delocalization of charge between the donor N atoms and the cyano acceptor groups, is compared with related compounds.
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:In the crystal structure of the title compound, C(7)H(3)ClN(4), neighbouring mol-ecules are linked via pairs of N-H?N hydrogen bonds into inversion dimers, thereby forming an R(2) (2)(12) ring motif. With respective average deviations from planarity of 0.009?(1) and 0.006?(1)?Å, the pyrazine skeleton and the malononitrile fragment are oriented at an angle of 6.0?(1)° with respect to each other. The mean planes of the pyrazine ring lie either parallel or are inclined at an angle of 68.5?(1)° in the crystal structure.
Project description:In the title mol-ecule, C(19)H(18)Br(4)N(2)O(2), the dihedral angle between the benzene rings is 73.9?(2)°. Two intra-molecular N-H?O hydrogen bonds make S(6) ring motifs. In the crystal, mol-ecules are linked via C-H?O inter-actions, forming chains propagating along the a-axis directon. A short C?Br [3.401?(5)?Å] contact is present in the crystal structure, which is further stabilized by a ?-? inter-action [centroid-centroid distance = 3.739?(3)?Å].
Project description:In the title compound, C(27)H(23)N(3), the dihedral angles between the central pyridine ring and the two outer benzene rings are 32.6?(1) and 52.0?(1)°. The compound displays inter-molecular ?-? inter-actions between adjacent six-membered rings, the shortest centroid-centroid distance being 3.981?(3)?Å.
Project description:The title compound, C(15)H(12)N(2)OS(2), is an example of a push-pull butadiene in which the electron-releasing methyl-sulfanyl groups and electron-withdrawing nitrile groups on either end of the butadiene chain enhance the conjugation in the system. Short intra-molecular C-H?S inter-actions are observed. In the crystal structure, an O?C short contact of 2.917?(3)?Å is observed.
Project description:In the title compound, C(19)H(15)BrO(3), the dihedral angle between the naphthalene ring system and the benzene ring is 72.02?(9)°. The bridging carbonyl C-C(=O)-C plane makes dihedral angles of 70.88?(10) and 1.87?(12)°, respectively, with the naphthalene ring system and the benzene ring. In the crystal, two types of weak inter-molecular C-H?O inter-actions and a short Br?C contact [3.345?(2)?Å] are observed.