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2-Methyl-1,2,3,4-tetra-hydro-isoquinolin-6-yl N-phenyl-carbamate.

ABSTRACT: In the mol-ecule of the title compound, C(17)H(18)N(2)O(2), the piperidine ring adopts a half-chair form. The two benzene rings are individually planar and make a dihedral angle of 53.90°. The crystal structure is stabilized by inter-molecular N-H?N hydrogen bonds and ?-? stacking inter-actions (centroid-centroid distance = 3.962?Å).

PROVIDER: S-EPMC2977739 | BioStudies |

REPOSITORIES: biostudies

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1-Methyl-1,2,3,4-tetra-hydro-carbolin-2-ium-3-carboxyl-ate.

Project description:The title compound, C(13)H(14)N(2)O(2), is a natural product isolated from Cicer arietinum L. (chickpea). The benzene ring and pyrrole rings display planar conformations and the piperidine ring has a half-chair conformation. Inter-molecular C-H⋯π inter-actions between a methyl H atom and the pyrrole ring of an adjacent mol-ecule are present in the crystal structure.

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(S)-4-tert-Butyl-2-(1,2,3,4-tetra-hydro-isoquinolin-3-yl)-1,3-thia-zole.

Project description:In the title compound, C(16)H(20)N(2)S, a potential tetra-hydro-isoquinoline (TIQ) thia-zole ligand, the N-containing six-membered ring of the TIQ unit adopts a half-chair conformation. There are four mol-ecules in the asymmetric unit. No classical hydrogen bonds or π-π inter-actions were found in the crystal structure.

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4-Fluoro-N-methyl-N-(1,2,3,4-tetra-hydro-carbazol-3-yl)benzene-sulfonamide.

Project description:In the title compound, C(19)H(19)FN(2)O(2)S, the hydrogenated six-membered ring of the carbazole unit adopts a half-chair conformation and the plane of the fluoro-phenyl ring forms a dihedral angle of 41.5?(1)° with respect to the carbazole mean plane. The crystal structure is segregated into layers containing the carbazole units and fluoro-phenyl rings in alternate (200) planes. The carbazole units form centrosymmetric face-to-face inter-actions [inter-planar separation = 4.06?(1)?Å] and edge-to-face inter-actions in which the N-H group is directed towards an adjacent carbazole face, with a shortest H?C contact of 2.53?Å. The fluoro-phenyl rings form face-to-face contacts with an approximate inter-planar separation of 3.75?Å and a centroid-centroid distance of 4.73?(1)?Å.

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{(1R,3S)-2-Benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl}diphenyl-methanol.

Project description:In the title compound, C(37)H(35)NO(3), a precursor to novel chiral catalysts, the N-containing six-membered ring assumes a half-chair conformation. Inter-molecular C-H?O hydrogen bonds link the mol-ecules in the crystal structure.

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2,3,6-Triphenyl-piperidin-4-one.

Project description:In the title mol-ecule, C(23)H(21)NO, the piperidine ring adopts a chair conformation, with the N and carbonyl C atoms as flaps, which deviate on either side of the chair by -0.706?(3) and 0.494?(3)?Å, respectively. All three phenyl rings are in equatorial positions on the piperidine ring, making angles with the puckering plane of 73.5?(1), 73.1?(1) and 67.2?(1)°. Though there is no classical hydrogen bonding, the crystal is stabilized by inter-molecular C-H?? contacts and ?-? stacking inter-actions involving phenyl rings [centroid-centroid distance = 4.424?(2)?Å].

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(7E)-5-Benzyl-7-(2-chloro-benzyl-idene)-3-(2-chloro-phen-yl)-2-phenyl-3,3a,4,5,6,7-hexa-hydro-2H-pyrazolo-[4,3-c]pyridine.

Project description:In the title 2H-pyrazolo-[4,3-c]pyridine derivative, C(32)H(27)Cl(2)N(3), the dihydro-pyrazole ring adopts an envelope conformation and the piperidine fused ring a twisted-chair conformation. Two short intra-molecular C-H?Cl contacts are observed. The crystal packing is characterized by dimeric C-Cl?? inter-actions involving the 5-benzyl ring, with Cl?centroid and closest atomic Cl?? distances of 3.778?(2) and 3.366?(4)?Å, respectively.

2010-01-01 | S-EPMC3006872 | BioStudies

1'-Benzylspiro-[chromene-2,4'-piperi-dine]-4-carbonitrile.

Project description:In the title compound, C(21)H(20)N(2)O, the piperidine ring adopts a chair conformation while the pyran ring adopts a screw-boat conformation. The piperidine ring forms dihedral angles of 65.75?(3) and 67.79?(5)° with the chroman and methyl-substituted benzene rings, respectively. The crystal structure features weak C-H?? and ?-? [centroid-centroid distance = 3.8098?(8)?Å] inter-actions.

| S-EPMC3435744 | BioStudies

1-(Piperidin-1-yl)-9,10-anthraquinone.

Project description:In the title compound, C(19)H(17)NO(2), the piperidine ring adopts a chair conformation. The mean planes of the piperidine ring and the anthracene ring system are inclined at a dihedral angle of 38.7?(1)°. In the crystal, adjacent mol-ecules are linked through C-H?? and ?-? [centroid-centroid distance = 3.782?(1)?Å] inter-actions, forming a layer parallel to the bc plane.

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1,2,3,4-Tetra-hydro-phenazine 5,10-dioxide.

Project description:The complete mol-ecule of the title compound, C(12)H(12)N(2)O(2), lies on two crystallographic symmetry elements: a twofold axis and a mirror plane. In the mol-ecular structure, the quinoxaline ring and two methyl-ene substituents lie on the mirror plane while the other two methyl-ene groups are disordered about the plane. The crystal packing is stabilized by weak inter-molecular ?-? stacking inter-actions with centroid-centroid distances of 3.6803?(7)?Å.

| S-EPMC3008063 | BioStudies

N-[4-(4-Bromo-phen-yl)thia-zol-2-yl]-4-(piperidin-1-yl)butanamide.

Project description:In the title compound, C(18)H(22)BrN(3)OS, the piperidine ring adopts a chair conformation. The mean plane of the thia-zole ring forms dihedral angles of 23.97?(10) and 75.82?(10)° with the mean planes of its adjacent benzene and piperidine rings, respectively. An intra-molecular N-H?N hydrogen bond generates an S(7) ring motif in the mol-ecule. In the crystal, no significant inter-moelcular hydrogen bonds are observed, but a weak ?-? inter-action with a centroid-centroid distance of 3.8855?(13)?Å occurs.

2012-01-01 | S-EPMC3379262 | BioStudies

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