Crystal and Molecular Structure of 7‐Methyl‐5,6,7,8‐tetrahydro[1]benzothieno[2,3‐ d ]pyrimidin‐4[3 H ]one

X‐ray characterization of 7‐methyl‐5,6,7,8‐tetrahydro[1]benzothieno [2,3‐ d ]pyrimidin‐4[3 H ]one is described. The compound crystallizes in the monoclinic space group P2 1 /c with a=7.0013(2)Å, b=8.3116(3)Å, c=18.374(6)Å, β=91.746(2)°, V=1068.76(6)Å 3 , z=4. The structure was solved using the direc...

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Veröffentlicht in:E-journal of chemistry 2012-01, Vol.9 (2), p.525-531
Hauptverfasser: Ziaulla, Mohamed, Banu, Afshan, Panchamukhi, Shridhar I., Khazi, Imtiyaz Ahmed M., Begum, Noor Shahina
Format: Artikel
Sprache:eng
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Zusammenfassung:X‐ray characterization of 7‐methyl‐5,6,7,8‐tetrahydro[1]benzothieno [2,3‐ d ]pyrimidin‐4[3 H ]one is described. The compound crystallizes in the monoclinic space group P2 1 /c with a=7.0013(2)Å, b=8.3116(3)Å, c=18.374(6)Å, β=91.746(2)°, V=1068.76(6)Å 3 , z=4. The structure was solved using the direct method and refined to reliability R‐factor of 0.0639 using 3180 independent reflections The crystal structure is further stabilized by intermolecular C‐H…N, N‐H…N C‐H…O, N‐H…O, and π‐π interactions.
ISSN:2090-9063
0973-4945
2090-9071
2090-9810
DOI:10.1155/2012/402568