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2-(Adamantan-1-yl)-N-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)acetamide.

ABSTRACT: The asymmetric unit of the title compound, C20H24N2O2S, contains two independent mol-ecules having very similar geometries. The main N-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)acetamide moiety adopts an almost planar structure (r.m.s. deviations of 0.091 and 0.051 Å for the two independent molecules). The adamantyl substituent occupies the gauche position relative to the C-N bond of the acetamide moiety [the corresponding N-C-C-C dihedral angles are -100.3 (3) and -96.5 (3)° for the two independent mol-ecules]. In the crystal, the two independent mol-ecules form a dimer via a pair of N-H⋯N hydrogen bonds. The dimers are further linked by C-H⋯O hydrogen bonds and attractive S⋯S [3.622 (2) Å] inter-actions into ribbons along [100].

SUBMITTER: Bunev AS

PROVIDER: S-EPMC3884489 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-(Adamantan-1-yl)-N-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)acetamide.

Bunev Alexander S AS Sklyuev Prokofij V PV Ostapenko Gennady I GI Purygin Petr P PP Khrustalev Victor N VN

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

The asymmetric unit of the title compound, C20H24N2O2S, contains two independent mol-ecules having very similar geometries. The main N-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)acetamide moiety adopts an almost planar structure (r.m.s. deviations of 0.091 and 0.051 Å for the two independent molecules). The adamantyl substituent occupies the gauche position relative to the C-N bond of the acetamide moiety [the corresponding N-C-C-C dihedral angles are -100.3 (3) and -96.5 (3)° for the two independent m ...[more]

PMID: 24427094

Similar Datasets

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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Crystal structure of (E)-2-{[(6-meth-oxy-1,3-benzo-thia-zol-2-yl)imino]-meth-yl}phenol.

Project description:The title compound, C15H12N2O2S, crystallizes in the ortho-rhom-bic space group Pna21 , with two mol-ecules in the asymmetric unit (Z' = 2). Each mol-ecule consists of a 2-hy-droxy Schiff base moiety linked through a spacer to a 2-amino-benzo-thia-zole moiety. Each mol-ecule contains an intra-molecular hydrogen bond between the -OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C-H⋯O hydrogen bonds, forming dimers with an R (2) 2(20) ring motif. These dimers are further lined into sheets in the ab plane by weak inter-molecular C-H⋯N inter-actions. The structure was refined as an inversion twin.

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2-[(1,3-Benzo-thia-zol-2-yl)imino-meth-yl]-6-meth-oxy-phenol: a new monoclinic polymorph.

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3-(4-Meth-oxy-phen-yl)-1,3-selenazolo[2,3-b][1,3]benzo-thia-zol-4-ium hydrogen sulfate.

Project description:The title compound, C16H12NOSSe(+)·HSO4 (-), was obtained from a mixture of 3-(4-meth-oxy-phen-yl)[1,3]selenazolo[2,3-b][1,3]benzo-thia-zol-4-ium chloride and potassium hydrogen sulfate. In the cation, the benzene ring is twisted by 71.62 (7)° from the tricycle mean plane. In the crystal, O-H⋯O hydrogen bonds link the anions into chains along [100]. The anions in adjacent chains are linked via weak C-H⋯O hydrogen bonds. The crystal packing exhibits short inter-molecular contacts between the chalcogen unit and the O atoms: Se⋯O(anion) 2.713 (3), Se⋯O(cation) 2.987 (3) and S⋯O(anion) 2.958 (3) Å.

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{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-chloro-phen-yl}(4-chloro-phen-yl)methan-one.

Project description:In the title compound, C21H13Cl2NO2S, the benzo-thia-zole ring makes dihedral angles of 0.94 (1) and 70.65 (5)° with the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring, respectively. The dihedral angle between the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring is 66.20 (5)°. The crystal structure consists of dimeric units generated by C-H⋯N hydrogen bonds, further linked by C-H⋯O and C-H⋯π inter-actions, leading to a three-dimensional network.

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2-[N-(4-Meth-oxy-phen-yl)acetamido]-1,3-thia-zol-4-yl acetate.

Project description:The structural analysis of the title compound, C14H14N2O4S, particularly the presence of an acetyl group at the exocyclic N atom and the C(H)-C(O2CMe)-N acet-oxy group in the thia-zole ring, may indicate that one of the starting materials, i.e. 2-(4-meth-oxy-anilino)-1,3-thia-zol-4(5H)-one, exists in the reaction mixture, at least partially, as a tautomer with an exocyclic amine N atom and an enol group. The acet-oxy and acetyl groups deviate from the thia-zole plane by 69.17?(6) and 7.25?(19)°, respectively. The thia-zole and benzene rings form a dihedral angle of 73.50?(4)°. In the crystal, centrosymmetrically related mol-ecules are connected into dimeric aggregates via C-H?O inter-actions.

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(2-(Benzo[d]thia-zol-2yl-meth-oxy)-5-chloro-phen-yl)(phen-yl)methanone.

Project description:In the title compound, C(21)H(14)ClNO(2)S, the dihedral angle between the benzothia-zole and diphenyl methanone groups is 68.6 (2)°. The crystal structure consists of dimeric units generated by C-H⋯N bonds, further linked by C-H⋯O bonds and C-H⋯π and π-π inter-actions [centroid-centroiddistance = 3.856 (2) Å], which lead to a criss-cross assembly parallel to (001).

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