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Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-meth-oxy-benzyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thio-phene.

Kaur M, Jasinski JP, Yathirajan HS, Glidewell C, Byrappa K - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the cyclo-hexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)].The dihedral angles between the mean plane of the thio-phene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively.The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°.

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Affiliation: Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

ABSTRACT
In the cyclo-hexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thio-phene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the mol-ecule, there is an O-H⋯N hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming chains parallel to [100].

No MeSH data available.


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A view along the b axis of the crystal packing of the title compound. Dashed lines indicate weak C—H⋯O hydrogen bonds (see Table 1 ▸ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
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fig2: A view along the b axis of the crystal packing of the title compound. Dashed lines indicate weak C—H⋯O hydrogen bonds (see Table 1 ▸ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).

Mentions: In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, observed between the benzene and phenyl rings of adjacent mol­ecules, forming chains parallel to the [100] direction (Fig. 2 ▸ and Table 1 ▸).


Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-meth-oxy-benzyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thio-phene.

Kaur M, Jasinski JP, Yathirajan HS, Glidewell C, Byrappa K - Acta Crystallogr E Crystallogr Commun (2015)

A view along the b axis of the crystal packing of the title compound. Dashed lines indicate weak C—H⋯O hydrogen bonds (see Table 1 ▸ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384575&req=5

fig2: A view along the b axis of the crystal packing of the title compound. Dashed lines indicate weak C—H⋯O hydrogen bonds (see Table 1 ▸ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
Mentions: In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, observed between the benzene and phenyl rings of adjacent mol­ecules, forming chains parallel to the [100] direction (Fig. 2 ▸ and Table 1 ▸).

Bottom Line: In the cyclo-hexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)].The dihedral angles between the mean plane of the thio-phene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively.The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

ABSTRACT
In the cyclo-hexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thio-phene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the mol-ecule, there is an O-H⋯N hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming chains parallel to [100].

No MeSH data available.


Related in: MedlinePlus