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(2R)-2-Cinnamoylamino-N-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]propanamide.


ABSTRACT: The asymmetric unit of the title compound, C(21)H(20)N(4)O(3)S, contains two independent mol-ecules. The dihedral angles between the two benzene rings are 47.6?(1) and 30.2?(1)°, the corresponding values between the p-methoxy-benzene and thia-diazol rings are 12.3?(1) and 24.7?(1)°, respectively, for the two mol-ecules. The conformations of the N-H and C=O bonds are anti with respect to each other. The enone groups show a trans configuration. The crystal structure is stabilized by N-H?O and N-H?N inter-actions. The absolute structure could not be determined from the X-ray data but the absolute configuration has been assigned by reference to an unchanging chiral centre in the synthetic procedure.

SUBMITTER: Li SH 

PROVIDER: S-EPMC2959345 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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(2R)-2-Cinnamoylamino-N-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]propanamide.

Li Shao-Hua SH   Li Gang G   Huang Hui-Ming HM   Tu Guo-Gang GG   Liu Cheng-Mei CM  

Acta crystallographica. Section E, Structure reports online 20080906 Pt 10


The asymmetric unit of the title compound, C(21)H(20)N(4)O(3)S, contains two independent mol-ecules. The dihedral angles between the two benzene rings are 47.6 (1) and 30.2 (1)°, the corresponding values between the p-methoxy-benzene and thia-diazol rings are 12.3 (1) and 24.7 (1)°, respectively, for the two mol-ecules. The conformations of the N-H and C=O bonds are anti with respect to each other. The enone groups show a trans configuration. The crystal structure is stabilized by N-H⋯O and N-H⋯  ...[more]

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