Limits...
Crystal structure of 2-benzyl-amino-4-(4-meth-oxy-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile.

Nagalakshmi RA, Suresh J, Maharani S, Kumar RR, Lakshman PL - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The phenyl and benzene rings are inclined to one another by 58.91 (7)° and to the pyridine ring by 76.68 (7) and 49.80 (6)°, respectively.In the crystal, inversion dimers linked by pairs of N-H⋯Nnitrile hydrogen bonds generate R 2 (2)(14) loops.The dimers are linked by C-H⋯π and slipped parallel π-π inter-actions [centroid-centroid distance = 3.6532 (3) Å] into a three-dimensional structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, The Madura College, Madurai 625 011, India.

ABSTRACT
The title compound, C25H25N3O, comprises a 2-amino-pyridine ring fused with a cyclo-heptane ring, which adopts a chair conformation. The central pyridine ring (r.m.s. deviation = 0.013 Å) carries three substituents, viz. a benzyl-amino group, a meth-oxy-phenyl ring and a carbo-nitrile group. The N atom of the carbo-nitrile group is significantly displaced [by 0.2247 (1) Å] from the plane of the pyridine ring, probably due to steric crowding involving the adjacent substituents. The phenyl and benzene rings are inclined to one another by 58.91 (7)° and to the pyridine ring by 76.68 (7) and 49.80 (6)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯Nnitrile hydrogen bonds generate R 2 (2)(14) loops. The dimers are linked by C-H⋯π and slipped parallel π-π inter-actions [centroid-centroid distance = 3.6532 (3) Å] into a three-dimensional structure.

No MeSH data available.


Related in: MedlinePlus

Partial packing diagram for the title compound, viewed along the c axis. Dashed lines represent inter­molecular hydrogen bonds and C—H⋯π contacts (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4257429&req=5

fig2: Partial packing diagram for the title compound, viewed along the c axis. Dashed lines represent inter­molecular hydrogen bonds and C—H⋯π contacts (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).

Mentions: In the crystal, mol­ecules are linked via pairs of N—H⋯Nnitrile inter­actions, forming inversion dimers which enclose (14) ring motifs. The dimers are connected through weak C—H⋯π inter­actions involving the CN group as acceptor (Table 1 ▶). They are further connected by slipped parallel π–π stacking inter­actions involving the pyridine rings of inversion-related mol­ecules [Cg1⋯Cg1i = 3.6532 (7), normal distance = 3.5920 (5), slippage = 0.667 Å; Cg1 is the centroid of the N3/C2–C6 ring; symmetry code: (i) −x + 1, −y + 1, −z + 1], as shown in Fig. 2 ▶.


Crystal structure of 2-benzyl-amino-4-(4-meth-oxy-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile.

Nagalakshmi RA, Suresh J, Maharani S, Kumar RR, Lakshman PL - Acta Crystallogr Sect E Struct Rep Online (2014)

Partial packing diagram for the title compound, viewed along the c axis. Dashed lines represent inter­molecular hydrogen bonds and C—H⋯π contacts (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257429&req=5

fig2: Partial packing diagram for the title compound, viewed along the c axis. Dashed lines represent inter­molecular hydrogen bonds and C—H⋯π contacts (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
Mentions: In the crystal, mol­ecules are linked via pairs of N—H⋯Nnitrile inter­actions, forming inversion dimers which enclose (14) ring motifs. The dimers are connected through weak C—H⋯π inter­actions involving the CN group as acceptor (Table 1 ▶). They are further connected by slipped parallel π–π stacking inter­actions involving the pyridine rings of inversion-related mol­ecules [Cg1⋯Cg1i = 3.6532 (7), normal distance = 3.5920 (5), slippage = 0.667 Å; Cg1 is the centroid of the N3/C2–C6 ring; symmetry code: (i) −x + 1, −y + 1, −z + 1], as shown in Fig. 2 ▶.

Bottom Line: The phenyl and benzene rings are inclined to one another by 58.91 (7)° and to the pyridine ring by 76.68 (7) and 49.80 (6)°, respectively.In the crystal, inversion dimers linked by pairs of N-H⋯Nnitrile hydrogen bonds generate R 2 (2)(14) loops.The dimers are linked by C-H⋯π and slipped parallel π-π inter-actions [centroid-centroid distance = 3.6532 (3) Å] into a three-dimensional structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, The Madura College, Madurai 625 011, India.

ABSTRACT
The title compound, C25H25N3O, comprises a 2-amino-pyridine ring fused with a cyclo-heptane ring, which adopts a chair conformation. The central pyridine ring (r.m.s. deviation = 0.013 Å) carries three substituents, viz. a benzyl-amino group, a meth-oxy-phenyl ring and a carbo-nitrile group. The N atom of the carbo-nitrile group is significantly displaced [by 0.2247 (1) Å] from the plane of the pyridine ring, probably due to steric crowding involving the adjacent substituents. The phenyl and benzene rings are inclined to one another by 58.91 (7)° and to the pyridine ring by 76.68 (7) and 49.80 (6)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯Nnitrile hydrogen bonds generate R 2 (2)(14) loops. The dimers are linked by C-H⋯π and slipped parallel π-π inter-actions [centroid-centroid distance = 3.6532 (3) Å] into a three-dimensional structure.

No MeSH data available.


Related in: MedlinePlus