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Bis(benzothia-zol-2-ylmeth-yl)amine.

ABSTRACT: In the title compound, C(16)H(13)N(3)S(2), the dihedral angle between the two benzothia-zole ring systems is 20.41?(2)°. In the crystal structure, inter-molecular N-H?N hydrogen bonds link mol-ecules into a chain along the b axis. The packing is further stabilized by C-H?? stacking inter-actions involving the two benzothia-zole ring systems.

SUBMITTER: Zhang Y

PROVIDER: S-EPMC2969256 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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Bis(benzothia-zol-2-ylmeth-yl)amine.

Zhang Yong Y Zhao Bi-Lin BL Zhang Shi-Lei SL Qu Yuan Y Xia Xian-You XY

Acta crystallographica. Section E, Structure reports online 20090624 Pt 7

In the title compound, C(16)H(13)N(3)S(2), the dihedral angle between the two benzothia-zole ring systems is 20.41 (2)°. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link mol-ecules into a chain along the b axis. The packing is further stabilized by C-H⋯π stacking inter-actions involving the two benzothia-zole ring systems. ...[more]

PMID: 21582933

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1,3-Benzothia-zol-2-amine.

Project description:In the crystal structure of the title compound, C(7)H(6)N(2)S, mol-ecules related by an inversion center are linked via N-H?N hydrogen bonds involving the amino groups, forming dimers. In turn, these dimers are linked via a second N-H?N hydrogen bond, forming an infinite two-dimensional network parallel to (011).

| S-EPMC2977242 | biostudies-literature

Bis[2-(1,3-benzothia-zol-2-ylsulfan-yl)eth-yl] ether.

Project description:The complete molecule of title compound, C(18)H(16)N(2)OS(4), is generated by crystallographic twofold symmetry, with the O atom lying on the rotation axis. The dihedral angle between the ring systems is 80.91?(2)°. In the crystal, adjacent mol-ecules are connected through ?-? stacking inter-actions [centroid-centroid distance = 3.882?(2)?Å], forming a three-dimensional network.

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N-(Prop-2-yn-1-yl)-1,3-benzothia-zol-2-amine.

Project description:In the title compound, C(10)H(8)N(2)S, the 2-amino-benzothia-zole and propyne groups are not coplanar [dihedral angle = 71.51?(1)°]. The crystal structure is stabilized by strong inter-molecular N-H?N hydrogen bonds and C-H?C, C-H?? and F-type aromatic-aromatic [centroid-centroid distance = 3.7826?(12)?Å] inter-actions are also observed.

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N-(4,6-Dimethyl-pyrimidin-2-yl)-1,3-benzothia-zol-2-amine.

Project description:In the title compound, C(13)H(12)N(4)S, an amino N atom is connected to a 1,3-benzothia-zole fused-ring system and a dimethyl-substituted pyrimidine ring, these components being aligned [inter-planar dihedral angle = 1.9?(1)°]. The secondary amino N atom forms an inter-molecular N-H?N hydrogen bond to an N atom of the fused ring of an adjacent mol-ecule, generating a centrosymmetric cyclic hydrogen-bonded dimer [graph set R(2) (2)(8)].

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Bis(1,3-benzothia-zol-2-amine-?N)silver(I) nitrate acetone solvate.

Project description:In the title compound, [Ag(C(7)H(6)N(2)S)(2)]NO(3)·C(3)H(6)O, the Ag(I) ion is coordinated to two benzothia-zol-2-amine ligands via the thia-zole N atoms in an approximately linear arrangement. The dihedral angle between the mean planes of the two 1,3-benzothia-zole groups is 5.9?(3)°. Both amine groups on the ligands are oriented in the same direction and are engaged in N-H?O hydrogen bonding with the nitrate counter-anion, forming one-dimensional columns along the b-axis direction. Voids created by inefficient crystal packing are occupied by acetone solvent mol-ecules which are disordered over two sites with occupancies of 0.563?(11) and 0.437?(11).

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1,4-Bis[2-(1,3-benzothia-zol-2-yl)phen-oxy]butane.

Project description:The mol-ecule of the title compound, C(30)H(24)N(2)O(2)S(2), adopts a transoid conformation consistent with the inversion centre located at the mid-point of the central C-C single bond, resulting in one half mol-ecule in the asymmetric unit. The dihedral angle between the coplanar benzothia-zole ring system and the benzene ring is 11.06?(7)°. In the crystal structure, mol-ecules are linked by weak inter-molecular ?-? inter-actions between thia-zole and benzene rings to form a three-dimensional network.

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Project description:In the title thio-phene-derived Schiff base compound, C(12)H(8)N(2)S(2), the thio-phene ring is slighty rotated from the benzothia-zole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the mol-ecule from the nine-atom mean plane defined by the non-H atoms of the benzothia-zole ring system is 0.572 (1) Å, exhibited by the C atom at the 3-position of the thio-phene ring. In the crystal, weak C-H⋯S hydrogen bonds involving the thio-phene group S atom and the 4-position thio-phene C-H group of a symmetry-related mol-ecule lead to an infinite one-dimensional chain colinear with the c axis. The structure is further stabilized by π-π inter-actions; the distance between the thia-zole ring centroid and the centroid of an adjacent benzene ring is 3.686 (1) Å. The crystal studied was an inversion twin with the ratio of components 0.73 (3):0.27 (3).

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6-Bromo-1,3-benzothia-zol-2-amine.

Project description:The r.m.s. deviation from the mean plane for the non-H atoms in the title compound, C(7)H(5)BrN(2)S, is 0.011?Å. In the crystal, the mol-ecules are linked by N-H?N and N-H?Br hydrogen bonds to generate (010) sheets. Weak aromatic ?-? stacking [centroid-to-centroid separation = 3.884?(10)?Å] and possible C-H?Br inter-actions are also observed. The crystal studied was found to be an inversion twin.

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2,9-Bis(1,3-benzothia-zol-2-yl)-1,10-phenanthroline dichloro-methane disolvate.

Project description:In the title compound, C(26)H(14)N(4)S(2)·2CH(2)Cl(2), the two pendant benzothia-zole groups are slightly twisted with respect to the phenanthroline core [dihedral angles = 1.03?(7) and 9.05?(5)°]. Weak inter-molecular C-H?N and C-H?Cl inter-actions occur in the crystal structure.

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6-Meth-oxy-1,3-benzothia-zol-2-amine.

Project description:The title compound, C(8)H(8)N(2)OS, is almost planar, the C-C-O-C torsion angle associated with the meth-oxy group being 0.72?(1)°. Inter-molecular amine N-H?N hydrogen-bonding inter-actions form inversion dimers [graph set R(2) (2)(8)] which are extended into chains along the b axis through amine N-H?O hydrogen bonds.

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