Limits...
Crystal structure of N-(tert-but-oxy-carbon-yl)glycyl-(Z)-β-bromo-dehydro-alanine methyl ester [Boc-Gly-(β-Br)((Z))ΔAla-OMe].

Lenartowicz P, Makowski M, Zarychta B, Ejsmont K - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The dipeptide folding is influenced by an inter-molecular N-H⋯O hydrogen bond and also minimizes steric repulsion.In the crystal, mol-ecules are linked by strong N-H⋯O hydrogen bonds, generating (001) sheets.The sheets are linked by weak C-H⋯O and C-H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter-actions.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.

ABSTRACT
The title compound, C11H17BrN2O5, is a de-hydro-amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra-molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol-ecule. The dipeptide folding is influenced by an inter-molecular N-H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol-ecules are linked by strong N-H⋯O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C-H⋯O and C-H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter-actions.

No MeSH data available.


Related in: MedlinePlus

A packing diagram of (I), viewed along the b axis, showing the inter­molecular hydrogen-bonding scheme (dashed lines).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4257433&req=5

fig2: A packing diagram of (I), viewed along the b axis, showing the inter­molecular hydrogen-bonding scheme (dashed lines).

Mentions: In the crystal, mol­ecules form two strong twin N—H⋯O (N8—H8A⋯O17i and N12—H12A⋯O7ii) and one weak accompanying C9—H9A⋯O11i hydrogen bonds (Fig. 1 ▶ and Table 1 ▶), forming infinite sheets in the (001) plane [symmetry codes: (i) −x + 2, −y, −z + 1 and (ii) −x + 3, −y, −z + 1]. The sheets are connected to each other by weak C14—H14A⋯O11iii and C19—H19B⋯Br15iii hydrogen bonds and one Br⋯Briv [3.4149 (3) Å] halogen bond (Fig. 2 ▶) of type I (Mukherjee & Desiraju, 2014 ▶) [symmetry codes: (iii) −x + 2, −y + 1, −z + 1; (iv) −x + 3, −y + 1, −z + 1].


Crystal structure of N-(tert-but-oxy-carbon-yl)glycyl-(Z)-β-bromo-dehydro-alanine methyl ester [Boc-Gly-(β-Br)((Z))ΔAla-OMe].

Lenartowicz P, Makowski M, Zarychta B, Ejsmont K - Acta Crystallogr Sect E Struct Rep Online (2014)

A packing diagram of (I), viewed along the b axis, showing the inter­molecular hydrogen-bonding scheme (dashed lines).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257433&req=5

fig2: A packing diagram of (I), viewed along the b axis, showing the inter­molecular hydrogen-bonding scheme (dashed lines).
Mentions: In the crystal, mol­ecules form two strong twin N—H⋯O (N8—H8A⋯O17i and N12—H12A⋯O7ii) and one weak accompanying C9—H9A⋯O11i hydrogen bonds (Fig. 1 ▶ and Table 1 ▶), forming infinite sheets in the (001) plane [symmetry codes: (i) −x + 2, −y, −z + 1 and (ii) −x + 3, −y, −z + 1]. The sheets are connected to each other by weak C14—H14A⋯O11iii and C19—H19B⋯Br15iii hydrogen bonds and one Br⋯Briv [3.4149 (3) Å] halogen bond (Fig. 2 ▶) of type I (Mukherjee & Desiraju, 2014 ▶) [symmetry codes: (iii) −x + 2, −y + 1, −z + 1; (iv) −x + 3, −y + 1, −z + 1].

Bottom Line: The dipeptide folding is influenced by an inter-molecular N-H⋯O hydrogen bond and also minimizes steric repulsion.In the crystal, mol-ecules are linked by strong N-H⋯O hydrogen bonds, generating (001) sheets.The sheets are linked by weak C-H⋯O and C-H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter-actions.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.

ABSTRACT
The title compound, C11H17BrN2O5, is a de-hydro-amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra-molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol-ecule. The dipeptide folding is influenced by an inter-molecular N-H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol-ecules are linked by strong N-H⋯O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C-H⋯O and C-H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter-actions.

No MeSH data available.


Related in: MedlinePlus