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Crystal structure of methyl (4 R )-4-(4-meth ­ oxy ­ benzo ­ yl)-4-{[(1 R )-1-phenyl ­ eth ­ yl]carbamo ­ yl}butano ­ ate

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ABSTRACT

The title compound, C22H25NO5, was prepared by CAN [cerium(IV) ammonium nitrate] oxidation of the corresponding β-lactam. The dihedral angle between the benzene rings is 13.3 (4)° and the C—N—C(=O)—C torsion angle is 176.1 (6)°. In the crystal, amide-C(4) N—H⋯O and reinforcing C—H⋯O hydrogen bonds link the mol­ecules into infinite [010] chains. Further C—H⋯O hydrogen bonds cross-link the chains in the c-axis direction.

No MeSH data available.


A view of the C20—H20A⋯O2 (dotted blue lines), N1—H1⋯O3 (dotted light-blue lines) and C9—H9⋯O3 (dotted orange lines) hydrogen bonds (see Table 1 ▸), which link the mol­ecules into [010] chains.
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fig2: A view of the C20—H20A⋯O2 (dotted blue lines), N1—H1⋯O3 (dotted light-blue lines) and C9—H9⋯O3 (dotted orange lines) hydrogen bonds (see Table 1 ▸), which link the mol­ecules into [010] chains.

Mentions: In the extended structure of the title compound, hydrogen bonds are one of the primary factors in building the crystal network (Table 1 ▸). Inter­molecular N1—H1⋯O3i (dotted light-blue lines), C9—H9⋯O3i dotted (orange lines) and C20—H20A⋯O2i (dotted blue lines) hydrogen bonds link neighboring mol­ecules, generating infinite chains running along the b-axis direction (Fig. 2 ▸). These chains are joined to each other along c axis by C17—H17⋯O5ii inter­actions (dotted pink lines), as shown in Fig. 3 ▸. The packing viewed along the [010] direction is illustrated in Fig. 4 ▸.


Crystal structure of methyl (4 R )-4-(4-meth ­ oxy ­ benzo ­ yl)-4-{[(1 R )-1-phenyl ­ eth ­ yl]carbamo ­ yl}butano ­ ate
A view of the C20—H20A⋯O2 (dotted blue lines), N1—H1⋯O3 (dotted light-blue lines) and C9—H9⋯O3 (dotted orange lines) hydrogen bonds (see Table 1 ▸), which link the mol­ecules into [010] chains.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5382608&req=5

fig2: A view of the C20—H20A⋯O2 (dotted blue lines), N1—H1⋯O3 (dotted light-blue lines) and C9—H9⋯O3 (dotted orange lines) hydrogen bonds (see Table 1 ▸), which link the mol­ecules into [010] chains.
Mentions: In the extended structure of the title compound, hydrogen bonds are one of the primary factors in building the crystal network (Table 1 ▸). Inter­molecular N1—H1⋯O3i (dotted light-blue lines), C9—H9⋯O3i dotted (orange lines) and C20—H20A⋯O2i (dotted blue lines) hydrogen bonds link neighboring mol­ecules, generating infinite chains running along the b-axis direction (Fig. 2 ▸). These chains are joined to each other along c axis by C17—H17⋯O5ii inter­actions (dotted pink lines), as shown in Fig. 3 ▸. The packing viewed along the [010] direction is illustrated in Fig. 4 ▸.

View Article: PubMed Central - HTML - PubMed

ABSTRACT

The title compound, C22H25NO5, was prepared by CAN [cerium(IV) ammonium nitrate] oxidation of the corresponding β-lactam. The dihedral angle between the benzene rings is 13.3 (4)° and the C—N—C(=O)—C torsion angle is 176.1 (6)°. In the crystal, amide-C(4) N—H⋯O and reinforcing C—H⋯O hydrogen bonds link the mol­ecules into infinite [010] chains. Further C—H⋯O hydrogen bonds cross-link the chains in the c-axis direction.

No MeSH data available.