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(E,E)-2-[3,4-Bis(4-methyl-benzyl-idene)-5-oxotetra-hydro-furan-2-yl-idene]propane-dinitrile.

ABSTRACT: In the title mol-ecule, C(23)H(16)N(2)O(2), the two exocyclic C=C bonds bearing the tolyl groups have an E configuration and the beznene rings are oriented at 22.1 (1) and 24.8 (1)° with respect to the mean plane of the atoms of the furan ring.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC2968988 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(6-Methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-yl-idene)propane-dinitrile.

Project description:In the title compound, C(16)H(13)N(3), the cyclo-hexene ring adopts a sofa conformation. An intra-molecular N-H⋯N hydrogen bond generates an S(7) ring motif. In the crystal, the mol-ecules are linked by pairs of N-H⋯N inter-actions, forming centrosymmetric dimers with an R(2) (2)(14) motif.

| S-EPMC3238928 | biostudies-literature

2-(1,2,3,4-Tetra-hydro-9H-carbazol-1-yl-idene)propane-dinitrile.

Project description:In the title compound, C(15)H(11)N(3), the cyclo-hexene ring adopts a sofa conformation. An intra-molecular N-H?N hydrogen bond generates an S(7) ring motif. In the crystal, mol-ecules are linked by inter-molecular N-H?N, C-H?N and C-H?? inter-actions into a three-dimensional network.

| S-EPMC3009027 | biostudies-literature

2-[(1-Methyl-1H-pyrrol-2-yl)methyl-idene]propane-dinitrile.

Project description:In the title compound, C(9)H(7)N(3), the N-bound methyl group and vinyl H atom are syn. The 12 non-H atoms comprising the mol-ecule are essentially coplanar (r.m.s. deviation = 0.071?Å). Supra-molecular tapes feature in the crystal packing, orientated perpendicular to [10-1], and are formed by C-H?N inter-actions involving each cyano N atom. The tapes are connected into layers via ?-? inter-actions occurring between translationally related pyrrole rings [ring centroid-centroid distance = 3.8754?(10)?Å]; the layers stack along the b axis.

| S-EPMC3344110 | biostudies-literature

2-(6-Chloro-2,3,4,9-tetra-hydro-1H-carbazol-1-yl-idene)propane-dinitrile.

Project description:The mol-ecular conformation of the title compound, C(15)H(10)ClN(3), is stabilized by an intra-molecular N-H⋯N hydrogen bond with an S(7) ring motif. The crystal packing is controlled by N-H⋯N and C-H⋯N inter-molecular inter-actions. One of the methyl-ene groups of the cyclo-hexene ring is disordered over two positions with refined occupancies of 0.457 (12) and 0.543 (12).

| S-EPMC3238926 | biostudies-literature

2-[(Dimethyl-amino)-methyl-idene]propane-dinitrile.

Project description:In the title moleclue, C6H7N3, the mean plane of the dimethyl-amino group [maximum deviation = 0.006?(2)?Å] forms a dihedral angle of 7.95?(18)° with the mean plane of the propane-dinitrile fragment [maximum deviation = 0.008?(2)?Å]. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into a three-dimensional network.

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2-(4-Fluoro-benzyl-idene)propane-dinitrile: monoclinic polymorph.

Project description:The title compound, C10H5FN2, is a monoclinic (P21/c) polymorph of the previously reported triclinic (P-1) form [Anti-pin et al. (2003 ?). J. Mol. Struct. 650, 1-20]. The 13 non-H atoms in the title polymorph are almost coplanar (r.m.s. deviation = 0.020?Å); a small twist between the fluoro-benzene and dinitrile groups [C-C-C-C torsion angle = 175.49?(16)°] is evident in the triclinic polymorph. In the crystal, C-H?N inter-actions lead to supra-molecular layers parallel to (-101); these are connected by C-F?? inter-actions.

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Bis(?-2-{bis-[(2-oxidobenzyl-idene)amino]-meth-yl}phenolato)bis-[(tetra-hydro-furan)-samarium(III)] tetra-hydro-furan disolvate.

Project description:In the centrosymmetric binuclear complex of the title solvate, [Sm(2)(C(21)H(15)N(2)O(3))(2)(C(4)H(8)O)(2)]·2C(4)H(8)O, the Sm(III) is coordin-ated in a distorted monocapped octa-hedral geometry by four O atoms and two N atoms from two tridentate deprotonated 2-{bis-[(2-oxidobenzyl-idene)amino]-meth-yl}phenolate ligands and an O atom of a tetra-hydro-furan (THF) mol-ecule. The Sm?Sm distance in the complex is 3.8057?(4)?Å. Parts of the coordinating THF mol-ecule are disordered over two sets of sites in a 0.56?(3):0.44?(3) ratio. The complex and solvent mol-ecules are linked into a three-dimensional structure via C-H?O hydrogen-bonding inter-actions.

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2-[(2,3,6,7-Tetra-hydro-1H,5H-benzo[ij]quinolizin-9-yl)methyl-ene]propane-dinitrile.

Project description:The ? system of the title compound, known as julolidinemalononitrile, C(16)H(15)N(3), is nearly planar, with a 3.5?(1)° twist between the aromatic and dicyano-vinyl groups. The bond lengths indicate significant zwitterionic character in the ground state.

| S-EPMC2969442 | biostudies-literature

2-(2-Methyl-6-phenyl-1-propyl-1,4-dihydro-pyridin-4-yl-idene)propane-dinitrile.

Project description:In the title compound, C(18)H(17)N(3), the dihedral angle between the dihydropyridine and phenyl rings is 72.57?(5)° and that between the dihydropyridine ring and malononitrile plane is 5.19?(20)°. The C-C bond lengths in the pyridine ring are considerably shorter than those of normal single bonds, indicating that electrons on the dihydropyridine ring, including the non-bonding electrons of the N atom, are delocalized on the ring.

| S-EPMC3052154 | biostudies-literature

N'-[Bis(benzyl-sulfan-yl)methyl-idene]benzohydrazide.

Project description:In the title hydrazonodithio-ate, C(21)H(19)N(3)OS(2), the amide group is twisted out of the plane through the S(2)C=N atoms: the C-N-N-C torsion angle is 139.71?(13)°. The pyridine ring forms dihedral angles of 52.96?(8) and 86.46?(8)° with the phenyl rings, and the latter are approximately orthogonal [dihedral angle = 76.42?(9)°]. Supra-molecular chains sustained by N-H?O hydrogen bonds and propagated by glide symmetry along the c axis are found in the crystal structure. The chains are consolidated into a three-dimensional architecture by C-H?O and C-H?N inter-actions.

| S-EPMC3379243 | biostudies-literature

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