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Crystal structure of 4-[4-(eth ­ oxy ­ carbon ­ yl)piperazin-1-yl]benzoic acid

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ABSTRACT

The asymmetric unit of the title compound, C14H18N2O4, contains two independent mol­ecules (A and B) which have essentially the same conformation. The piperazine rings adopts chair conformations with the N atoms out of plane. The dihedral angles formed by the four approximately planar C atoms of the piperazine ring and the benzene ring is 30.8 (5)° in mol­ecule A and 30.6 (5)° in mol­ecule B. In the crystal, mol­ecules A and B are connected by a pair of O—H⋯O hydrogen bonds, forming a dimer with graph-set notation R22(8). Weak C—H⋯O hydrogen bonds connect the dimers, forming zigzag chains along [001].

No MeSH data available.


Part of the crystal structure with O—H⋯O and weak C—H⋯O hydrogen bonds shown as dashed lines.
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fig2: Part of the crystal structure with O—H⋯O and weak C—H⋯O hydrogen bonds shown as dashed lines.

Mentions: In the crystal, mol­ecules A and B are connected by a pair of O—H⋯O hydrogen bonds (Fig. 1 ▸, Table 1 ▸), forming a dimer with graph set (8). In addition, weak C—H⋯O hydrogen bonds connect the dimers, forming zigzag chains along [001] (Fig. 2 ▸).


Crystal structure of 4-[4-(eth ­ oxy ­ carbon ­ yl)piperazin-1-yl]benzoic acid
Part of the crystal structure with O—H⋯O and weak C—H⋯O hydrogen bonds shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5120704&req=5

fig2: Part of the crystal structure with O—H⋯O and weak C—H⋯O hydrogen bonds shown as dashed lines.
Mentions: In the crystal, mol­ecules A and B are connected by a pair of O—H⋯O hydrogen bonds (Fig. 1 ▸, Table 1 ▸), forming a dimer with graph set (8). In addition, weak C—H⋯O hydrogen bonds connect the dimers, forming zigzag chains along [001] (Fig. 2 ▸).

View Article: PubMed Central - HTML - PubMed

ABSTRACT

The asymmetric unit of the title compound, C14H18N2O4, contains two independent mol­ecules (A and B) which have essentially the same conformation. The piperazine rings adopts chair conformations with the N atoms out of plane. The dihedral angles formed by the four approximately planar C atoms of the piperazine ring and the benzene ring is 30.8 (5)° in mol­ecule A and 30.6 (5)° in mol­ecule B. In the crystal, mol­ecules A and B are connected by a pair of O—H⋯O hydrogen bonds, forming a dimer with graph-set notation R22(8). Weak C—H⋯O hydrogen bonds connect the dimers, forming zigzag chains along [001].

No MeSH data available.