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Crystal structure of O -benzyl- l -tyrosine N -carb ­ oxy anhydride

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ABSTRACT

In the title compound, C17H15NO4 (alternative name; O-benzyl-l-tyrosine N-carb­oxy anhydride), the oxazolidine ring is planer, with an r.m.s. deviation of 0.039 Å. The benz­yloxy and benzyl rings are almost coplanar, making a dihedral angle of 0.078 (10)°, and are inclined to the oxazolidine ring by 59.16 (11) and 58.42 (11)°, respectively. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming ribbons propagating along [010]. The ribbons are linked by C—H⋯π inter­actions, forming a three-dimensional supra­molecular structure. The oxazolidine rings of adjacent ribbons are arranged into a layer parallel to the ab plane. This arrangement is favourable for the polymerization of the compound in the solid state.

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A view along the a axis of the crystal packing of the title compound. The hydrogen bonds and C—H⋯π inter­actions are shown as dashed lines (see Table 1 ▸). For clarity, only H atoms H1 and H3 and H6 (grey balls) have been included.
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fig3: A view along the a axis of the crystal packing of the title compound. The hydrogen bonds and C—H⋯π inter­actions are shown as dashed lines (see Table 1 ▸). For clarity, only H atoms H1 and H3 and H6 (grey balls) have been included.

Mentions: In the crystal, mol­ecules are linked via N1—H1⋯O3i and C—H⋯O3ii hydrogen bonds, forming ribbons propagating along the b-axis direction (Table 1 ▸ and Fig. 2 ▸). The ribbons are linked by C—H⋯π inter­actions, forming a three-dimensional supra­molecular structure (Table 1 ▸ and Fig. 3 ▸). The five-membered oxazolidine rings are packed in a layer and the –CH2C6H4OCH2C6H5 side chains are packed in another layer; the two different layers stack alternately. This sandwich structure is one of the important requirements for high reactivity in the solid state, because the five-membered rings can react with each other in the layer.


Crystal structure of O -benzyl- l -tyrosine N -carb ­ oxy anhydride
A view along the a axis of the crystal packing of the title compound. The hydrogen bonds and C—H⋯π inter­actions are shown as dashed lines (see Table 1 ▸). For clarity, only H atoms H1 and H3 and H6 (grey balls) have been included.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5382620&req=5

fig3: A view along the a axis of the crystal packing of the title compound. The hydrogen bonds and C—H⋯π inter­actions are shown as dashed lines (see Table 1 ▸). For clarity, only H atoms H1 and H3 and H6 (grey balls) have been included.
Mentions: In the crystal, mol­ecules are linked via N1—H1⋯O3i and C—H⋯O3ii hydrogen bonds, forming ribbons propagating along the b-axis direction (Table 1 ▸ and Fig. 2 ▸). The ribbons are linked by C—H⋯π inter­actions, forming a three-dimensional supra­molecular structure (Table 1 ▸ and Fig. 3 ▸). The five-membered oxazolidine rings are packed in a layer and the –CH2C6H4OCH2C6H5 side chains are packed in another layer; the two different layers stack alternately. This sandwich structure is one of the important requirements for high reactivity in the solid state, because the five-membered rings can react with each other in the layer.

View Article: PubMed Central - HTML - PubMed

ABSTRACT

In the title compound, C17H15NO4 (alternative name; O-benzyl-l-tyrosine N-carb­oxy anhydride), the oxazolidine ring is planer, with an r.m.s. deviation of 0.039 Å. The benz­yloxy and benzyl rings are almost coplanar, making a dihedral angle of 0.078 (10)°, and are inclined to the oxazolidine ring by 59.16 (11) and 58.42 (11)°, respectively. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming ribbons propagating along [010]. The ribbons are linked by C—H⋯π inter­actions, forming a three-dimensional supra­molecular structure. The oxazolidine rings of adjacent ribbons are arranged into a layer parallel to the ab plane. This arrangement is favourable for the polymerization of the compound in the solid state.

No MeSH data available.


Related in: MedlinePlus