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Methyl 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]pyridine-3-carboxyl-ate n-hexane hemisolvate.

Ariffin A, Nordin N, Yehye WA, Ng SW - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The title solvated ester, C(22)H(29)NO(3)S·0.5C(6)H(14), crystallizes with two independent mol-ecules along with a hexane mol-ecule in the asymmetric unit.The two aromatic rings are separated by an -CH(2)-S- linkage; the rings are aligned at 83.27 (4)° in one mol-ecule and 47.66 (7)° in the other.The hy-droxy group of one mol-ecule forms an O-H⋯O hydrogen bond to the other mol-ecule.

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ABSTRACT
The title solvated ester, C(22)H(29)NO(3)S·0.5C(6)H(14), crystallizes with two independent mol-ecules along with a hexane mol-ecule in the asymmetric unit. The two aromatic rings are separated by an -CH(2)-S- linkage; the rings are aligned at 83.27 (4)° in one mol-ecule and 47.66 (7)° in the other. The hy-droxy group of one mol-ecule forms an O-H⋯O hydrogen bond to the other mol-ecule.

No MeSH data available.


Anisotropic displacement ellipsoid plot (Barbour, 2001) of at the two independent molecules and the solvent molecule at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.
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Fap1: Anisotropic displacement ellipsoid plot (Barbour, 2001) of at the two independent molecules and the solvent molecule at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.


Methyl 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]pyridine-3-carboxyl-ate n-hexane hemisolvate.

Ariffin A, Nordin N, Yehye WA, Ng SW - Acta Crystallogr Sect E Struct Rep Online (2012)

Anisotropic displacement ellipsoid plot (Barbour, 2001) of at the two independent molecules and the solvent molecule at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379213&req=5

Fap1: Anisotropic displacement ellipsoid plot (Barbour, 2001) of at the two independent molecules and the solvent molecule at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.
Bottom Line: The title solvated ester, C(22)H(29)NO(3)S·0.5C(6)H(14), crystallizes with two independent mol-ecules along with a hexane mol-ecule in the asymmetric unit.The two aromatic rings are separated by an -CH(2)-S- linkage; the rings are aligned at 83.27 (4)° in one mol-ecule and 47.66 (7)° in the other.The hy-droxy group of one mol-ecule forms an O-H⋯O hydrogen bond to the other mol-ecule.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title solvated ester, C(22)H(29)NO(3)S·0.5C(6)H(14), crystallizes with two independent mol-ecules along with a hexane mol-ecule in the asymmetric unit. The two aromatic rings are separated by an -CH(2)-S- linkage; the rings are aligned at 83.27 (4)° in one mol-ecule and 47.66 (7)° in the other. The hy-droxy group of one mol-ecule forms an O-H⋯O hydrogen bond to the other mol-ecule.

No MeSH data available.