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Crystal structure of 2-methyl-4-[(thio-phen-2-yl)methyl-idene]-1,3-oxazol-5(4H)-one.

ABSTRACT: The asymmetric unit of the title compound, C9H7NO2S, contains two crystallographically independent mol-ecules (A and B). Both mol-ecules are almost planar [maximum deviations = 0.047?(1) and 0.090?(1)?Å, respectively, for the S atoms] with the oxazole and thio-phene rings being inclined to one another by 2.65?(16)° in mol-ecule A and by 4.55?(15)° in mol-ecule B. In the crystal, the individual mol-ecules are linked via C-H?O hydrogen bonds, forming -A-B-A-B- chains along the [10-1] direction. The chains are linked via C-H?? and ?-? inter-actions [inter-centroid distances = 3.767?(2) and 3.867?(2)?Å] involving inversion-related oxazole and thio-phene rings in both mol-ecules, forming a three-dimensional structure.

SUBMITTER: Sharma P

PROVIDER: S-EPMC4384586 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of 2-methyl-4-[(thio-phen-2-yl)methyl-idene]-1,3-oxazol-5(4H)-one.

Sharma Preetika P Subbulakshmi K N KN Narayana B B Byrappa K K Kant Rajni R

Acta crystallographica. Section E, Crystallographic communications 20150121 Pt 2

The asymmetric unit of the title compound, C9H7NO2S, contains two crystallographically independent mol-ecules (A and B). Both mol-ecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thio-phene rings being inclined to one another by 2.65 (16)° in mol-ecule A and by 4.55 (15)° in mol-ecule B. In the crystal, the individual mol-ecules are linked via C-H⋯O hydrogen bonds, forming -A-B-A-B- chains along the [10-1] direction. Th ...[more]

PMID: 25878864

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