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Crystal structure of piperidinium 4-nitro-phenolate.

Sowmya NS, Sampathkrishnan S, Sudhahar S, Chakkaravarthi G, Kumar RM - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title mol-ecular salt, C5H12N(+)·C6H4NO3 (-), the piperidine ring adopts a chair conformation and the cation is protonated at the N atom.In the anion, the nitro group is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring.In the crystal, N-H⋯O hydrogen bonds link adjacent anions and cations into infinite chains propagating along [100].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai 602 117, India.

ABSTRACT
In the title mol-ecular salt, C5H12N(+)·C6H4NO3 (-), the piperidine ring adopts a chair conformation and the cation is protonated at the N atom. In the anion, the nitro group is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring. In the crystal, N-H⋯O hydrogen bonds link adjacent anions and cations into infinite chains propagating along [100]. The chains are linked by C-H⋯π inter-actions, forming sheets lying parallel to (001).

No MeSH data available.


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The mol­ecular structure of the title salt, showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.
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fig1: The mol­ecular structure of the title salt, showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.

Mentions: The mol­ecular structure of the title compound is illustrated in Fig. 1 ▶. The geometric parameters are close to those reported for similar structures viz. 1-acetyl-c-3,t-3-dimethyl-r-2,c-6-di­phenyl­piperidin-4-one (Aravindhan et al., 2009 ▶), 4-nitro­phenol-piperazine (2/1) (Nagapandiselvi et al., 2013 ▶) and 2-carboxyl­atopyridinium-4-nitro­phenol (1/1) (Sankar et al., 2014 ▶). The piperidine ring (C8–C11/N2/C12) adopts a chair conformation with puckering parameters of Q = 0.5601 (17) Å, θ = 1.80 (17) and ϕ = 19 (10)°. The nitro group (N1/O2/O3) is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring (C1–C6).


Crystal structure of piperidinium 4-nitro-phenolate.

Sowmya NS, Sampathkrishnan S, Sudhahar S, Chakkaravarthi G, Kumar RM - Acta Crystallogr Sect E Struct Rep Online (2014)

The mol­ecular structure of the title salt, showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257431&req=5

fig1: The mol­ecular structure of the title salt, showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.
Mentions: The mol­ecular structure of the title compound is illustrated in Fig. 1 ▶. The geometric parameters are close to those reported for similar structures viz. 1-acetyl-c-3,t-3-dimethyl-r-2,c-6-di­phenyl­piperidin-4-one (Aravindhan et al., 2009 ▶), 4-nitro­phenol-piperazine (2/1) (Nagapandiselvi et al., 2013 ▶) and 2-carboxyl­atopyridinium-4-nitro­phenol (1/1) (Sankar et al., 2014 ▶). The piperidine ring (C8–C11/N2/C12) adopts a chair conformation with puckering parameters of Q = 0.5601 (17) Å, θ = 1.80 (17) and ϕ = 19 (10)°. The nitro group (N1/O2/O3) is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring (C1–C6).

Bottom Line: In the title mol-ecular salt, C5H12N(+)·C6H4NO3 (-), the piperidine ring adopts a chair conformation and the cation is protonated at the N atom.In the anion, the nitro group is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring.In the crystal, N-H⋯O hydrogen bonds link adjacent anions and cations into infinite chains propagating along [100].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai 602 117, India.

ABSTRACT
In the title mol-ecular salt, C5H12N(+)·C6H4NO3 (-), the piperidine ring adopts a chair conformation and the cation is protonated at the N atom. In the anion, the nitro group is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring. In the crystal, N-H⋯O hydrogen bonds link adjacent anions and cations into infinite chains propagating along [100]. The chains are linked by C-H⋯π inter-actions, forming sheets lying parallel to (001).

No MeSH data available.


Related in: MedlinePlus