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(2E)-2-(1,3-Benzo-thia-zol-2-yl)-3-(di-methyl-amino)-prop-2-ene-nitrile.

ABSTRACT: The mol-ecular conformation of title compound, C12H11N3S, is almost planar [maximum deviation = 0.063 (2) Å]; an intra-molecular C-H⋯N hydrogen bond is noted. In the crystal, mol-ecules inter-act with each other via π-π stacking inter-actions between thia-zole rings [centroid-centroid distance = 3.7475 (9) Å] and methyl-H⋯π(C6) inter-actions, forming columns along the a axis.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3914091 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N,N'-Bis(1,3-thia-zol-2-yl)methyl-ene-diamine.

Project description:In the title compound, C(7)H(8)N(4)S(2), the dihedral angle between the thia-zoline rings is 71.25 (13)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds connect the mol-ecules into zigzag chains parallel to the ab plane.

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2-(6-Bromo-benzo[d]thia-zol-2-yl)-5,5-di-methyl-thia-zol-4(5H)-one.

Project description:The title compound, C12H9BrN2OS2, was obtained by reacting 6-bromo-benzo[d]thia-zole-2-carbo-nitrile in iso-propanol with ethyl 2-mercapto-2-methyl-propano-ate at reflux temperature for several hours. The resulting di-methyl-oxyluciferin derivative shows partial double-bond character of the carbon-carbon bond between the two heterocyclic moieties [C-C = 1.461 (3) Å]. This double bond restricts rotation around this C-C axis, therefore leading to an almost planar mol-ecular structure [N-C-C-S torsion angle = 9.7 (3)°]. The five-membered thiazoline ring is not completely planar as a result of the bulky S atom [C-S-C-C torsion angle = 5.17 (12)°].

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4,4'-{[1,1'-Methyl-enebis(naphthalene-2,1-di-yl)]bis-(-oxymethyl-ene)}di-benzo-nitrile.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(37)H(26)N(2)O(2). The crystal structure is stabilized by a weak intra-molecular hydrogen bond as well as C-H⋯π inter-actions.

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N-(1,3-Benzo-thia-zol-2-yl)acetamide.

Project description:The title compound, C9H8N2OS, crystallizes with two mol-ecules (A and B) in the asymmetric unit. The dihedral angles between the mean planes of the 1,3-benzo-thia-zol-2-yl ring system and the acetamide group are 2.7?(4) (mol-ecule A) and 7.2?(2)?Å (mol-ecule B). In the crystal, pairs of N-H?N hydrogen bonds link the A and B mol-ecules into dimers, generating R 2 (2)(8) loops. The dimers stack along [100].

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2-[3-(1,3-Benzothia-zol-2-yl)-2,2-di-methyl-prop-yl]-2-methyl-2,3-di-hydro-1,3-benzothia-zole.

Project description:In the title compound, C(20)H(22)N(2)S(2), the five-membered thia-zole ring of the 2-methyl-2,3-dihydro-1,3-benzothia-zole unit has an envelope conformation. The dihedral angle between the planar [maximum deviation of 0.014?(1)?Å for the S atom] benzothia-zole ring system and the benzene ring is 78.37?(12)°. Two intra-molecular C-H?S hydrogen bonds are observed, forming rings of graph-set motif S(6). In the crystal, the molecules are consolidated in pairs through N-H?N hydrogen bonds and are arranged parallel to the b axis.

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Crystal structures of 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium benzoate and 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium picrate.

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3-(2-Methyl-1,3-benzo-thia-zol-3-ium-3-yl)propane-1-sulfonate monohydrate.

Project description:In the title hydrated zwitterion, C11H13NO3S2·H2O, the N-C-C-C and C-C-C-S torsion angles in the side-chain are 171.06?(14) and 173.73?(12)°, respectively. In the crystal, inversion-related mol-ecules are ?-stacked with an inter-planar separation of 3.3847?(2)?Å. O-H?O hydrogen bonds link inversion-related mol-ecules with a pair of water mol-ecules to form R 4 (2)(8) rings. The closest S?S contact is 3.4051?(15)?Å between inversion-related mol-ecules.

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2-Anilino-3-(2-hy-droxy-prop-yl)-4-methyl-1,3-thia-zol-3-ium chloride.

Project description:In the title compound, C(13)H(17)N(2)OS(+)·Cl(-), the thia-zolium ring mean plane makes a dihedral angle of 55.46?(9)° with the benzene ring. In the propanol group, the N-C-C-C and N-C-C-O torsion angles are 172.58?(15) and 52.9?(2)°, respectively, and the S-C-C-C torsion angle is 178.99?(18)°. In the crystal, mol-ecules are linked by O-H?Cl and N-H?Cl hydrogen bonds, forming zigzag chains along [001]. There is also a C-H?Cl inter-action present.

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1'-Allyl-1-(3,4-di-methyl-benzo-yl)-2-(4-methyl-1,3-thia-zol-5-yl)-1,2,5,6,7,7a-hexa-hydro-spiro-[pyrrolizine-3,3'-indolin]-2'-one.

Project description:In the title compound, C30H31N3O2S, the fused pyrrolidine ring bearing three substituents adopts an envelope conformation with the C atom bearing the benzoyl group as the flap. The other fused pyrrolidine ring adopts a twisted conformation about one of its C-C bonds. The dihedral angle between the isatin ring system and the methyl-thia-zole ring is 25.95?(8)°. An intra-molecular C-H?O inter-action closes an S(8) ring. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(11) chains propagating in [001].

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Methyl (2E)-2-[(2,4-dioxo-1,3-thia-zolidin-3-yl)meth-yl]-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(14)H(13)NO(4)S, the thia-zolidine ring is essentially planar [maximum deviation = 0.010?(2)?Å for the carbonyl C atom between the N and S atoms] and is oriented at a dihedral angle of 60.1?(1)° with respect to the benzene ring. In the crystal, mol-ecules are linked into zigzag chains running along the c axis by C-H?O hydrogen bonds. The crystal packing is further stabilized by C-H?? inter-actions involving the benzene ring.

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