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Crystal structure of 1,3-bis ­ [( E )-benzyl ­ idene ­ amino] ­ propan-2-ol

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ABSTRACT

In the title compound, C17H18N2O, the central carbon atom with the OH substituent and one of the (E)-benzyl­idene­amino substituents are disordered over two sets of sites with occupancies of 0.851 (4) and 0.149 (4). The relative positions of the two disorder components is equivalent to a rotation of approximately 60° about the C—N single bond. In the crystal, the mol­ecules are held together by O—H⋯N hydrogen bonds, forming simple C(5) chains along the b-axis direction. In addition, pairs of the chains are further aggregated by weak C—H⋯π inter­actions.

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The crystal packing of the title compound showing the extended hydrogen-bonded network.
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fig2: The crystal packing of the title compound showing the extended hydrogen-bonded network.

Mentions: As found in related structures (Rivera, Miranda-Carvajal, Ríos-Motta & Bolte, 2016 ▸; Moodley & Van Zyl, 2012 ▸) in the crystal, mol­ecules are linked by an O1—H1⋯N1 hydrogen bond, Table 1 ▸, forming columnar structures built from C(5) chains along the b-axis direction. In addition, pairs of the chains are linked by weak C24—H24⋯Cg1 inter­actions (Table 1 ▸ and Fig. 2 ▸), involving the C11–C16 phenyl ring, together with C15—H15⋯Cg2 and C15—H15⋯Cg3 contacts involving the phenyl rings of the two disorder components; the centroids are defined in Table 1 ▸. It is noteworthy that the shortest (and presumably the strongest) of these non-classical contacts is C15—H15⋯Cg3 involving the phenyl ring in the minor disorder component (Table 1 ▸).


Crystal structure of 1,3-bis ­ [( E )-benzyl ­ idene ­ amino] ­ propan-2-ol
The crystal packing of the title compound showing the extended hydrogen-bonded network.
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Related In: Results  -  Collection

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getmorefigures.php?uid=PMC5382637&req=5

fig2: The crystal packing of the title compound showing the extended hydrogen-bonded network.
Mentions: As found in related structures (Rivera, Miranda-Carvajal, Ríos-Motta & Bolte, 2016 ▸; Moodley & Van Zyl, 2012 ▸) in the crystal, mol­ecules are linked by an O1—H1⋯N1 hydrogen bond, Table 1 ▸, forming columnar structures built from C(5) chains along the b-axis direction. In addition, pairs of the chains are linked by weak C24—H24⋯Cg1 inter­actions (Table 1 ▸ and Fig. 2 ▸), involving the C11–C16 phenyl ring, together with C15—H15⋯Cg2 and C15—H15⋯Cg3 contacts involving the phenyl rings of the two disorder components; the centroids are defined in Table 1 ▸. It is noteworthy that the shortest (and presumably the strongest) of these non-classical contacts is C15—H15⋯Cg3 involving the phenyl ring in the minor disorder component (Table 1 ▸).

View Article: PubMed Central - HTML - PubMed

ABSTRACT

In the title compound, C17H18N2O, the central carbon atom with the OH substituent and one of the (E)-benzyl­idene­amino substituents are disordered over two sets of sites with occupancies of 0.851 (4) and 0.149 (4). The relative positions of the two disorder components is equivalent to a rotation of approximately 60° about the C—N single bond. In the crystal, the mol­ecules are held together by O—H⋯N hydrogen bonds, forming simple C(5) chains along the b-axis direction. In addition, pairs of the chains are further aggregated by weak C—H⋯π inter­actions.

No MeSH data available.