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Crystal structure of 3-amino-1-propyl-pyridinium bromide.

Venkatesan P, Rajakannan V, Thamotharan S - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the pyridine ring, the N atom is alkyl-ated by a propyl group.The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cation A, whereas the corresponding angle is 89.23 (2)° in cation B.In the crystal, the anions and cations are linked via N-H⋯Br and C-H⋯Br hydrogen bonds, forming chains propagating along [100].

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Affiliation: School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, India.

ABSTRACT
The title mol-ecular salt, C8H13N2 (+)·Br(-), crystallizes with two independent 3-amino-pyridinium cations and two bromide anions in the asymmetric unit (Z' = 2). In the pyridine ring, the N atom is alkyl-ated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cation A, whereas the corresponding angle is 89.23 (2)° in cation B. In the crystal, the anions and cations are linked via N-H⋯Br and C-H⋯Br hydrogen bonds, forming chains propagating along [100].

No MeSH data available.


The crystal packing of the title salt projected onto the bc plane. The N—H⋯Br and C—H⋯Br hydrogen bonds are shown as dashed lines (see Table 1 ▶ for details).
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fig3: The crystal packing of the title salt projected onto the bc plane. The N—H⋯Br and C—H⋯Br hydrogen bonds are shown as dashed lines (see Table 1 ▶ for details).

Mentions: The crystal structure of the title salt, is stabilized by a network of inter­molecular N—H⋯Br and C—H⋯Br hydrogen bonds (Table 1 ▶ and Fig. 3 ▶). Anion Br2 is involved in five hydrogen bonds as an acceptor while anion Br1 is involved in only two hydrogen bonds. The dimerization of cation A mediates through two bromide anions with the aid of two N—H⋯Br and C—H⋯Br hydrogen bonds. As shown in Fig. 4 ▶, these inter­actions generate an (12) loop. Atom C16 (via H16A) forms a C—H⋯Bri hydrogen bond with bromide anion Br2 [symmetry code: (i) x + 1, y, z]. The same Br2 anion acts as an acceptor for an N—H⋯Br hydrogen bond with atom N4 of cation B. These inter­actions form a chain which runs parallel to the a axis (Fig. 5 ▶).


Crystal structure of 3-amino-1-propyl-pyridinium bromide.

Venkatesan P, Rajakannan V, Thamotharan S - Acta Crystallogr Sect E Struct Rep Online (2014)

The crystal packing of the title salt projected onto the bc plane. The N—H⋯Br and C—H⋯Br hydrogen bonds are shown as dashed lines (see Table 1 ▶ for details).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257424&req=5

fig3: The crystal packing of the title salt projected onto the bc plane. The N—H⋯Br and C—H⋯Br hydrogen bonds are shown as dashed lines (see Table 1 ▶ for details).
Mentions: The crystal structure of the title salt, is stabilized by a network of inter­molecular N—H⋯Br and C—H⋯Br hydrogen bonds (Table 1 ▶ and Fig. 3 ▶). Anion Br2 is involved in five hydrogen bonds as an acceptor while anion Br1 is involved in only two hydrogen bonds. The dimerization of cation A mediates through two bromide anions with the aid of two N—H⋯Br and C—H⋯Br hydrogen bonds. As shown in Fig. 4 ▶, these inter­actions generate an (12) loop. Atom C16 (via H16A) forms a C—H⋯Bri hydrogen bond with bromide anion Br2 [symmetry code: (i) x + 1, y, z]. The same Br2 anion acts as an acceptor for an N—H⋯Br hydrogen bond with atom N4 of cation B. These inter­actions form a chain which runs parallel to the a axis (Fig. 5 ▶).

Bottom Line: In the pyridine ring, the N atom is alkyl-ated by a propyl group.The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cation A, whereas the corresponding angle is 89.23 (2)° in cation B.In the crystal, the anions and cations are linked via N-H⋯Br and C-H⋯Br hydrogen bonds, forming chains propagating along [100].

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, India.

ABSTRACT
The title mol-ecular salt, C8H13N2 (+)·Br(-), crystallizes with two independent 3-amino-pyridinium cations and two bromide anions in the asymmetric unit (Z' = 2). In the pyridine ring, the N atom is alkyl-ated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cation A, whereas the corresponding angle is 89.23 (2)° in cation B. In the crystal, the anions and cations are linked via N-H⋯Br and C-H⋯Br hydrogen bonds, forming chains propagating along [100].

No MeSH data available.