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1-Methyl-3,3-bis-(phenyl-sulfan-yl)piperidin-2-one.

Caracelli I, Olivato PR, Cerqueira CR, Santos JM, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The piperidone ring in the title compound, C(18)H(19)NOS(2), is in a distorted half-chair conformation, distorted towards a twisted boat, with the central methyl-ene C atom of the propyl backbone lying 0.606 (2) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.1197 Å).One of the S-bound phenyl rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is splayed [dihedral angles = 75.97 (6) and 44.21 (7)°, respectively].The most prominent feature of the crystal packing is the formation of helical supra-molecular chains along the b axis sustained by C-H⋯O inter-actions.

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ABSTRACT
The piperidone ring in the title compound, C(18)H(19)NOS(2), is in a distorted half-chair conformation, distorted towards a twisted boat, with the central methyl-ene C atom of the propyl backbone lying 0.606 (2) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.1197 Å). One of the S-bound phenyl rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is splayed [dihedral angles = 75.97 (6) and 44.21 (7)°, respectively]. The most prominent feature of the crystal packing is the formation of helical supra-molecular chains along the b axis sustained by C-H⋯O inter-actions. The chains are consolidated into a three-dimensional architecture via C-H⋯π inter-actions whereby one S-bound phenyl ring accepts two C-H⋯π contacts.

No MeSH data available.


Related in: MedlinePlus

A view in projection down the a axis of the unit-cell contents for (I). The C—H···O and C—H···π interactions are shown as orange and purple dashed lines, respectively.
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Fap3: A view in projection down the a axis of the unit-cell contents for (I). The C—H···O and C—H···π interactions are shown as orange and purple dashed lines, respectively.


1-Methyl-3,3-bis-(phenyl-sulfan-yl)piperidin-2-one.

Caracelli I, Olivato PR, Cerqueira CR, Santos JM, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

A view in projection down the a axis of the unit-cell contents for (I). The C—H···O and C—H···π interactions are shown as orange and purple dashed lines, respectively.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379371&req=5

Fap3: A view in projection down the a axis of the unit-cell contents for (I). The C—H···O and C—H···π interactions are shown as orange and purple dashed lines, respectively.
Bottom Line: The piperidone ring in the title compound, C(18)H(19)NOS(2), is in a distorted half-chair conformation, distorted towards a twisted boat, with the central methyl-ene C atom of the propyl backbone lying 0.606 (2) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.1197 Å).One of the S-bound phenyl rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is splayed [dihedral angles = 75.97 (6) and 44.21 (7)°, respectively].The most prominent feature of the crystal packing is the formation of helical supra-molecular chains along the b axis sustained by C-H⋯O inter-actions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The piperidone ring in the title compound, C(18)H(19)NOS(2), is in a distorted half-chair conformation, distorted towards a twisted boat, with the central methyl-ene C atom of the propyl backbone lying 0.606 (2) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.1197 Å). One of the S-bound phenyl rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is splayed [dihedral angles = 75.97 (6) and 44.21 (7)°, respectively]. The most prominent feature of the crystal packing is the formation of helical supra-molecular chains along the b axis sustained by C-H⋯O inter-actions. The chains are consolidated into a three-dimensional architecture via C-H⋯π inter-actions whereby one S-bound phenyl ring accepts two C-H⋯π contacts.

No MeSH data available.


Related in: MedlinePlus