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

ABSTRACT: 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.

SUBMITTER: Wang YT

PROVIDER: S-EPMC2959929 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-[4-tert-Butyl-5-(2-chloro-benz-yl)-1,3-thia-zol-2-yl]isoindoline-1,3-dione.

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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2-Amino-4-tert-butyl-5-(2,4-dichloro-benz-yl)thia-zol-3-ium bromide.

Project description:The asymmetric unit of the title compound, C(14)H(17)Cl(2)N(2)S(+)·Br(-), contains one cation and two Br(-) ions with site symmetry . The dihedral angle between the planes of the thia-zol and the dichloro-phenyl rings is 77.8?(6)°. In the crystal, the ions are connected by N-H?Br hydrogen bonds.

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2-Amino-4-tert-butyl-5-(4-chloro-benz-yl)thia-zol-3-ium chloride.

Project description:The title compound, C(14)H(18)ClN(2)S(+)·Cl(-), crystallizes with two formula units in the asymmetric unit. The dihedral angles between the mean planes of the chloro-phenyl and thia-zole rings are 87.8?(2) and 88.0?(2)° in the two independent mol-ecules. In the crystal, the anions and cations are connected by N-H?Cl hydrogen bonds.

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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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2-Chloro-5-chloro-meth-yl-1,3-thia-zole.

Project description:In the title compound, C(4)H(3)Cl(2)NS, the chloro-methyl C and 2-position Cl atoms lie close to the mean plane of the thia-zole ring [deviations = 0.0568?(2) and 0.0092?(1)?Å, respectively]. No classical hydrogen bonds are found in the crystal structure.

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1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

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(E)-2-[4-tert-Butyl-5-(2,4,5-trimethoxy-benz-yl)thia-zol-2-ylimino-meth-yl]phenol.

Project description:In the title compound, C(24)H(28)N(2)O(4)S, the dihedral angle between the phenol ring and the thia-zole ring system is 10.6?(1)°, and the trimethoxy-phenyl group is approximately perpendicular to the thia-zole ring, the dihedral angle being 84.7?(2)°. There is a strong intra-molecular hydrogen-bonding inter-action between the Schiff base and the hydr-oxy group.

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N-(4-tert-Butyl-benz-yl)phthalimide.

Project description:The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15?(7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700?(4):0.300?(4). In the crystal, inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H?O contact, together with weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.961?(2)?Å] generate a three-dimensional network.

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5-(4-Chloro-benz-yl)-1H-tetra-zole.

Project description:In the title compound, C(8)H(7)ClN(4), the phenyl and tetra-zole rings are inclined at a dihedral angle of 67.52?(6)°. In the crystal, mol-ecules are linked by an N-H?N hydrogen bond into a chain structure along [010]. ?-? inter-actions with centroid-centroid distances of 3.526?(1)?Å between adjacent tetra-zole rings further link the chains, forming a ribbon structure.

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Ethyl 4-[(3,5-di-tert-butyl-2-hy-droxy-benz-yl)amino]-benzoate.

Project description:The title amine, C(24)H(33)NO(3), has two substituted aromatic rings at either end of the -CH(2)NH- linkage [C(ar-yl)-CH(2)-NH-C(ar-yl) torsion angle = 77.4 (3)°]. The amino and hy-droxy groups are hydrogen-bond donors to the carbonyl O atom of an adjacent mol-ecule. These hydrogen bonds give rise to a chain that runs along the b axis. One of the tert-butyl groups is disordered over two positions with a site-occupation factor of 0.834 (6) for the major occupied site.

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