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5-Methyl-N-(1,3-thia-zol-2-yl)isoxazole-4-carboxamide.

ABSTRACT: In the title compound, C8H7N3O2S, the dihedral angle between the thia-zol and isoxazole rings is 34.08 (13)°. In the crystal, the mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers, and C-H⋯O inter-actions, resulting in chains along the b-axis direction.

SUBMITTER: Wang DC

PROVIDER: S-EPMC3684936 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C12H12N2OS, the dihedral angle between the benzene and thia-zole rings is 83.5?(7)°. The acetamide group is almost coplanar with the thia-zole ring, being twisted from it by 4.2?(9)°. In the crystal, pairs of N-H?N hydrogen bonds link mol-ecules into inversion dimers, generating R 2 (2)[8] loops; the dimers are stacked along [001].

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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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(E)-Methyl 1,3-thia-zol-2-yl ketone 2,4-dinitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(11)H(9)N(5)O(4)S, were obtained from a condensation reaction of 2,4-dinitro-phenyl-hydrazine and methyl 1,3-thia-zol-2-yl ketone. Excluding two methyl H atoms, the mol-ecule displays a planar structure, the dihedral angle between the terminal thia-zole and benzene rings being 1.82 (8)°. The imino group links with adjacent nitro and thia-zole groups by intra-molecular bifurcated hydrogen bonding. The centroid-centroid separation of 3.7273 (11) Å between nearly parallel benzene and thia-zole rings of adjacent mol-ecules indicates the existence of π-π stacking in the crystal structure. Weak inter-molecular C-H⋯O hydrogen bonding is also observed.

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N-(1,3-Thia-zol-2-yl)benzamide.

Project description:The title compound, C(10)H(8)N(2)OS, features a nonplanar mol-ecule [dihedral angle between the two aromatic rings = 43.6 (1)°]. Two mol-ecules are linked by N-H⋯N hydrogen bonds about a centre of inversion, giving rise to a hydrogen-bonded dimer.

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4-Bromo-2-[5-methyl-2-(morpholin-4-yl)-1,3-thia-zol-4-yl]phenol.

Project description:In the title compound, C14H15BrN2O2S, synthesized by the reaction of the corresponding phenacyl thio-cyanate with morpholine, the dihedral angle between the 1,3-thia-zole ring and the phenolic substituent ring is 23.46 (10)° as a result of the steric influence of the ortho-methyl group on the thia-zole ring. A strong intra-molecular phenolic O-H⋯N hydrogen bond is present in the mol-ecule. In the crystal, a weak C-H⋯Ophenol hydrogen bond gives rise to chains lying parallel to [20-1]. A short inter-molecular Br⋯Omorpholine inter-action is also present [3.1338 (19) Å].

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3-(2-Methyl-amino-1,3-thia-zol-4-yl)-2H-chromen-2-one.

Project description:In the title compound, C(13)H(10)N(2)O(2)S, the essentially planar 2H-chromene ring system [maximum deviation = 0.0297?(13)?Å] and the thia-zole ring [maximum deviation = 0.0062?(11)?Å] form a dihedral angle of 3.47?(5)°. In the crystal, N-H?N and C-H?O hydrogen bonds link the mol-ecules into two-dimensional networks parallel to the bc plane. C-H?? and ?-? [centroid-centroid separation = 3.6796?(8)?Å] inter-actions further stabilize the crystal structure.

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4-Methyl-N-(4-methyl-phenyl-sulfon-yl)-N-[4-(4-methyl-phen-yl)-1,3-thia-zol-2-yl]benzene-sulfonamide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C24H22N2O4S3. In each, the sulfonamide N atoms reveal nearly a trigonal-planar geometry with two S atoms of the O=S=O groups and one C atom of the thia-zole ring; the angles around the N atoms are between 117.00?(13) and 123.86?(9)°. The methyl-phenyl-sulfonyl groups are in anti conformations, forming dihedral angles of 78.00?(7)/72.53?(5) and 77.09?(6)/71.50?(7)° with the trigonal S-N-S planes in the two mol-ecules. The thia-zole groups are rotated around the C-N bonds and are almost perpendicular to the S-N-S plane [dihedral angles of 78.00?(7)/72.53?(5) and 77.09?(6)/71.50?(7)°]. In the crystal, pairs of C-H?O inter-actions, with the O atoms of the sulfonamide groups as acceptors, link each of the independent mol-ecules into inversion dimers.

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3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-5-methyl-1,3,5-oxadiazinan-4-one.

Project description:In the title compound, C(8)H(10)ClN(3)O(2)S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636?(2)?Å. A short intra-molecular C-S?O=C contact [S?O 3.122?(2)?Å, C-S?O 80.0?(2)°] is observed between the two mol-ecular fragments bridged by the methyl-ene group. In the crystal, C-H?O hydrogen bonds link mol-ecules, forming chains along the b axis.

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Phenyl N-(1,3-thia-zol-2-yl)carbamate.

Project description:In the title compound, C(10)H(8)N(2)O(2)S, the planes of the aromatic rings are oriented at a dihedral angle of 66.69?(3)°. In the crystal structure, inter-molecular N-H?N and C-H?O inter-actions link the mol-ecules into a two-dimensional network, forming R(2) (2)(8) ring motifs. ?-? contacts between the thia-zole rings [centroid-centroid distance = 3.535?(1)?Å] may further stabilize the structure. A weak C-H?? inter-action is also found.

| S-EPMC2969196 | biostudies-literature

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].

| S-EPMC3884296 | biostudies-literature

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