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3-[1-(4-Methyl-phen-ylsulfon-yl)-1,4-di-hydro-pyridin-4-yl]-1H-indole.

ABSTRACT: In the title compound, C(20)H(18)N(2)O(2)S, the indole mean plane and benzene ring form a dihedral angle of 65.0 (1)°. In the crystal structure, weak inter-molecular N-H⋯π and C-H⋯O inter-actions link the mol-ecules into ribbons propagated along [100].

SUBMITTER: Oliveira-Campos AM

PROVIDER: S-EPMC2983977 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,1'-[4-(2,4-Dichloro-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-yl]diethanone.

Project description:In the title compound, C(17)H(17)Cl(2)NO(2), the central 1,4-dihydro-pyridine ring adopts a flattened-boat conformation. The ethanone substituents of the dihydro-pyridine ring at positions 3 and 5 have synperiplanar (cis) or anti-periplanar (trans) conformations with respect to the adjacent C=C bonds in the dihydro-pyridine ring. The 2,4-dichloro-phenyl ring is almost planar [r.m.s. deviation = 0.0045 (1) Å] and almost perpendicular [89.27 (3)°] to the mean plane of the dihydro-pyridine ring. In the crystal, an N-H⋯O hydrogen bond links mol-ecules into a zigzag chain along the ac diagonal. C-H⋯Cl contacts form centrosymmetric dimers and additional weak C-H⋯O contacts further consolidate the packing.

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3-Acetyl-2-methyl-4-(pyridin-3-yl)-1,4-di-hydro-indeno-[1,2-b]pyridin-5-one.

Project description:In the title compound, C20H16N2O2, the condensed tricyclic fragment is near to planar, with an r.m.s. deviation of 0.0531?Å. The 1,4-di-hydro-pyridine (1,4-DHP) ring adopts a slightly puckered boat-like conformation. The N and opposite C atoms deviate from the least-squares plane of the four other ring atoms by 0.039?(3) and 0.141?(3)?Å, respectively. The C=O group located at the tricyclic fragment is fixed in an s-trans orientation, while the second C=O group adopts an s-cis orientation with respect to the double bonds of the 1,4-DHP ring. The pyridine ring has a pseudo-axial orientation with respect to the 1,4-DHP ring. The dihedral angle between the tricyclic system and the pyridine ring is 77.3?(3)°. In the crystal, the pyridine N atom accepts a hydrogen bond from the N-H group of the 1,4-DHP ring. The hydrogen bonds link the mol-ecules into infinite C(8) chains along the b-axis direction.

| S-EPMC3648250 | biostudies-literature

Crystal structure of 5-[4-(di-methyl-amino)-phen-yl]-3-(4-methyl-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.

Project description:The title compound, C19H21N3O, comprises a central pyrazole ring which is N-connected to an aldehyde group and C-connected twice to substituted benzene rings. The pyrazole ring is twisted on the C-C single bond, and the least-squares plane through this ring forms dihedral angles of 82.44 (5) and 4.52 (5)° with the (di-methyl-amino)-benzene and p-tolyl rings, respectively. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules into supra-molecular tubes along the b axis.

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Diethyl 4-(2-meth-oxy-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-carboxyl-ate.

Project description:In the title compound, C20H25NO5, the di-hydro-pyridine ring adopts a flattened boat conformation. The meth-oxy-phenyl ring is almost perpendicular to the mean plane of the pyridine ring [dihedral angle = 88.42?(3)°]. The two carbonyl units adopt a synperiplanar conformation with respect to the double bonds in the di-hydro-pyridine ring. In the crystal, mol-ecules are connected by N-H?O hydrogen bonds into R 4 (4)(24) tetra-meric rings. A region of disordered electron density, located at the center of four adjacent mol-ecules, was treated with the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. It is probably the result of traces of the solvent of crystallization and was not taken into account during the structure refinement.

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2,6-Di-amino-4-(4-chloro-phen-yl)-1-methyl-1,4-di-hydro-pyridine-3,5-dicarbo-nitrile.

Project description:In the title compound, C14H12ClN5, the di-hydro-pyridine ring adopts a shallow boat conformation. The dihedral angle between the plane of this ring and that of the chloro-benzene ring is 69.15?(15)°. In the crystal, mol-ecules are linked by N-H?N and N-H?Cl hydrogen bonds, generating (001) sheets.

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2-(4-Bromo-phen-yl)-2-methyl-2,3-di-hydro-quinazolin-4(1H)-one.

Project description:In the title compound, C(15)H(13)BrN(2)O, the pyrimidine ring adopts a skew boat conformation. The amino H atom forms an inter-molecular hydrogen bond with the carbonyl O atom of an adjacent mol-ecule, forming an inversion dimer. Another lone pair of electrons on the same carbonyl O atom acts as acceptor for another N-H?O inter-molecular hydrogen bond with a neighbouring mol-ecule, forming chains along the c axis.

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1,1'-(Butane-1,4-di-yl)bis-[2-(pyridin-2-yl)-1H-benzimidazole].

Project description:The complete mol-ecule of the title compound, C(28)H(24)N(6), is generated by inversion symmetry with the inversion centre located at the mid-point of the central C-C bond of the butanediyl unit. The benzimidazole and pyridine rings are almost coplanar, the dihedral angle between their mean planes being 6.86?(11)°.

| S-EPMC3344554 | biostudies-literature

6-Bromo-N-(6-bromo-pyridin-2-yl)-N-[4-(2,3-di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)phen-yl]pyridin-2-amine.

Project description:In the title mol-ecule, C22H15Br2N3O2S, the central benzene ring forms dihedral angles of 12.39?(17), 56.66?(17) and 74.71?(19)°, respectively, with the mean planes of the thio-phene and two pyridine rings. The dioxane ring is in a half-chair conformation. An intra-molecular C-H?O hydrogen forms an S(6) ring. The amine N atom is sp (2)-hybridized.

| S-EPMC4120601 | biostudies-literature

Crystal structure of (4Z)-1-(3,4-di-chloro-phen-yl)-4-[hy-droxy(4-methyl-phen-yl)methyl-idene]-3-methyl-4,5-di-hydro-1H-pyrazol-5-one.

Project description:The title compound, C18H14Cl2N2O2, crystallizes with two mol-ecules, A and B, in the asymmetric unit. In mol-ecule A, the dihedral angles between the central pyrazole ring and pendant di-chloro-benzene and p-tolyl rings are 2.18?(16) and 46.78?(16)°, respectively. In mol-ecule B, the equivalent angles are 27.45?(16) and 40.45?(18)°, respectively. Each mol-ecule features an intra-molecular O-H?O hydrogen bond, which closes an S(6) ring and mol-ecule A also features a C-H?O inter-action. In the crystal, weak C-H?? interactions and aromatic ?-? stacking [shortest centroid-centroid separation = 3.707?(2)?Å] generate a three-dimensional network.

| S-EPMC4257223 | biostudies-literature

5-(2-Hy-droxy-phen-yl)-3-methyl-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.

Project description:In the title compound, C(11)H(12)N(2)O(2), the dihydro-pyrazole and benzene rings are oriented at a dihedral angle of 68.35 (5)°. The dihydro-pyrazole ring is planar, with a mean deviation from the mean plane of 0.0409 Å. The crystal structure is stabilized by O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3008072 | biostudies-literature

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