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 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 2090-9063 0973-4945 2090-9071 2090-9810 |
DOI: | 10.1155/2012/402568 |