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

ABSTRACT: 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.

SUBMITTER: Pawar S

PROVIDER: S-EPMC3414942 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C(18)H(16)N(2)S, the N-containing ring adopts a half-chair configuration. The crystal packing features C-H?N contacts. There is no ?-? stacking within the crystal structure.

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Project description:In the title compound, C(26)H(24)N(2)O(2)S, the dihedral angle between the thia-zole ring and the adjacent phenyl ring is 3.02?(15)°. The N-containing six-membered ring of the tetra-hydro-isoquinoline unit adopts a half-chair conformation. The dihedral angle between the least-squares plane of the tetra-hydro-isoquinoline ring system and its nearest phenyl ring is 76.90?(13)°. No classical hydrogen bonds nor ?-? inter-actions were found in the crystal structure.

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Project description: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).

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2-Amino-4-tert-butyl-5-(4-chloro-benz-yl)thia-zole.

Project description:In the title compound, C(14)H(17)ClN(2)S, the dihedral angle between the planes of the thia-zole and chloro-phenyl rings is 88.86 (3)°. In the crystal, inversion dimers occur, linked by pairs of N-H⋯N hydrogen bonds.

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Project description:The title compound, C15H14N2S, crystallizes with two independent mol-ecules in the asymmetric unit. The central imidazo[2,1-b][1,3]benzo-thia-zole unit is planar (r.m.s. deviations of 0.010 and 0.008?Å for the two independent mol-ecules). The fused tetra-hydro-hexane ring adopts a half-chair conformation. The phenyl substituent is twisted by 16.96?(13) and 22.89?(12)° relative to the central imidazo[2,1-b][1,3]benzo-thia-zole unit in the two mol-ecules. In the crystal, there are no significant intermolecular interactions present.

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Project description:The asymmetric unit cell of the title compound, C(18)H(18)N(2)O, contains four molecules. In the crystal structure, an inter-molecular N-H?N hydrogen bond helps to establish the packing.

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Project description:In the isoquinoline ring system of the title mol-ecule, C(19)H(24)N(2)O(6), the N-heterocyclic ring is in a half-boat conformation. The mol-ecular structure is stabilized by an intra-molecular O-H?O hydrogen bond, which generates an S(7) ring motif. In the crystal, mol-ecules are linked via inter-molecular bifurcated N-H?(O,O) and weak C-H?O hydrogen bonds into a three-dimensional network.

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Project description:The asymmetric unit of the title compound, C(12)H(17)NO(3), contains two mol-ecules with different conformations. It is a polymorph of the monoclinic form [El Antri et al. (2004 ?). Mol-ecules, 9, 650-657]; the samples were crystallized at different temperatures from the same solvent. In both structures, mol-ecules are linked by O-H?N hydrogen bonds, forming chains. The conformations of the chains and their packing differ markedly in the two polymorphs.

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Project description:In the title compound, C(22)H(19)ClN(2)O(2)S, the dihedral angle between the phenyl-ene ring and the phthalimide ring system is 4.4?(1)°. There is no hydrogen bonding or ?-? stacking in the crystal structure.

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