3-Methylpiperidinium bromide

In the crystal structure of the title molecular salt, C6H14N+·Br−, N—H⋯Br hydrogen bonds link the cations and anions to form a one-dimensional network.

In the crystal structure of the title molecular salt, C 6 H 14 N + ÁBr À , N-HÁ Á ÁBr hydrogen bonds link the cations and anions to form a one-dimensional network.

3-Methylpiperidinium bromide Qian Xu Comment
Dielectric-ferroelectric constitute an interesting class of materials, comprising organic ligands,metal-organic coordination compounds and organic-inorganic hybrids. (Zhang et al., 2010;Zhang et al., 2008;Ye et al., 2006). Unfortunately,the dielectric constant of the title compound as a function of temperature indicates that the permittivity is basically temperature-independent, below the melting point (428k-429k) of the compound, we have found that title compound has no dielectric disuniform from 80 K to 405 K. Herein we descibe the crystal structure of this compound.
Regarding its crystal structure,the asymmetric unit of the title compound consists of a 3-methylpiperidinium cation, a bromide anion (Fig. 1). The cations and anions were connected by hydrogen bonds involving N-H···Br which makes great contribution to the stability of the crystal structure,and these hydrogen bonds link the cations and anions into stable crystal structure ( Fig. 2 and Tab. 1).

Experimental
The title compound was obtained by the addition of hydrobromic acid (0.8 g, 0.01 mol) to a solution of 3-methylpiperidine (0.97 g, 0.01 mol) in water, in the stoichiometric ratio 1: 1. Good quality single crystals were obtained by slow evaporation after two days(the chemical yield is 65%).

Refinement
Amino H atoms were located in a difference Fourier map and refined isotropically. Other H atoms were placed in geometrically idealized positions nd constrained to ride on their parent atoms with C-H = 0.97-0.98 Å, U iso (H) = 1.2U iso (C, N) and U iso (H) = 1.5U iso (C) for the methyl.

Computing details
Data collection: SCXmini (Rigaku, 2006); cell refinement: SCXmini (Rigaku, 2006); data reduction: SCXmini (Rigaku, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008   Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.