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Two forms of (naphthalen-1-yl)boronic acid

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ABSTRACT

Two polymorphs of the title compound, C10H9BO2, were prepared by recystallization from different solvents at room temperature. Both forms demonstrate nearly identical mol­ecular structures with all naphthalene group atoms located in one plane and all boronic acid atoms in another: the dihedral angles between these planes are 39.88 (5) and 40.15 (5)° for the two asymmetric mol­ecules of the ortho­rhom­bic form and 40.60 (3)° for the single asymmetric mol­ecule in the monoclinic form. In each extended structure, mol­ecules form dimers, connected via two O—H⋯O hydrogen bonds. The dimers are connected by further O—H⋯O hydrogen bonds, forming layered networks in the (001) plane and the (100) plane in the ortho­rhom­bic and monoclinic forms, respectively. The resulting layers are practically identical in both forms. However, these layers are shifted along the [010] axis in the two forms, resulting in a slightly more effective packing for monoclinic structure (packing index = 0.692) compared to the ortho­rhom­bic form (0.688).

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Packing of the ortho­rhom­bic form. View is along the [010] axis.
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fig7: Packing of the ortho­rhom­bic form. View is along the [010] axis.

Mentions: In both forms, pairs of mol­ecules are connected through a pair of O—H⋯O hydrogen bonds (Tables 1 ▸ and 2 ▸) into dimers. There is also an intra­molecular C—H⋯O contact. The dimers are further connected via O—H⋯O hydrogen bonds, forming a layered network in plane (001) and in plane (100) in the ortho­rhom­bic and monoclinic forms, respectively (Figs. 5 ▸ and 6 ▸). The resulting layers are practically identical in both forms (compare Figs. 7 ▸ and 8 ▸, Figs. 9 ▸ and 10 ▸).


Two forms of (naphthalen-1-yl)boronic acid
Packing of the ortho­rhom­bic form. View is along the [010] axis.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5120708&req=5

fig7: Packing of the ortho­rhom­bic form. View is along the [010] axis.
Mentions: In both forms, pairs of mol­ecules are connected through a pair of O—H⋯O hydrogen bonds (Tables 1 ▸ and 2 ▸) into dimers. There is also an intra­molecular C—H⋯O contact. The dimers are further connected via O—H⋯O hydrogen bonds, forming a layered network in plane (001) and in plane (100) in the ortho­rhom­bic and monoclinic forms, respectively (Figs. 5 ▸ and 6 ▸). The resulting layers are practically identical in both forms (compare Figs. 7 ▸ and 8 ▸, Figs. 9 ▸ and 10 ▸).

View Article: PubMed Central - HTML - PubMed

ABSTRACT

Two polymorphs of the title compound, C10H9BO2, were prepared by recystallization from different solvents at room temperature. Both forms demonstrate nearly identical mol­ecular structures with all naphthalene group atoms located in one plane and all boronic acid atoms in another: the dihedral angles between these planes are 39.88 (5) and 40.15 (5)° for the two asymmetric mol­ecules of the ortho­rhom­bic form and 40.60 (3)° for the single asymmetric mol­ecule in the monoclinic form. In each extended structure, mol­ecules form dimers, connected via two O—H⋯O hydrogen bonds. The dimers are connected by further O—H⋯O hydrogen bonds, forming layered networks in the (001) plane and the (100) plane in the ortho­rhom­bic and monoclinic forms, respectively. The resulting layers are practically identical in both forms. However, these layers are shifted along the [010] axis in the two forms, resulting in a slightly more effective packing for monoclinic structure (packing index = 0.692) compared to the ortho­rhom­bic form (0.688).

No MeSH data available.


Related in: MedlinePlus