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Crystal structure of 4-(3,4-di-cyano-phen-oxy)-N-[3-(di-methyl-amino)-prop-yl]benzamide mono-hydrate: a phen-oxy-phthalo-nitrile derivative.

Çolak S, Yıldız SZ, Çaylak Delibaş N, Pişkin H, Hökelek T - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°.The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring.The slabs are linked by a pair of inversion-related C-H⋯N hydrogen bonds, involving phthalo-nitrile rings, forming a three-dimensional structure.

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Affiliation: Department of Chemistry, Sakarya University, 54187 Esentepe, Sakarya, Turkey.

ABSTRACT
In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring. In the crystal, O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules to form slabs parallel to (100). There are also C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions present within the slabs. The slabs are linked by a pair of inversion-related C-H⋯N hydrogen bonds, involving phthalo-nitrile rings, forming a three-dimensional structure.

No MeSH data available.


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Part of the crystal packing of the title compound. The O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds are shown as dashed lines (see Table 1 ▸). Only H atoms involved in hydrogen bonding have been included for clarity.
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fig2: Part of the crystal packing of the title compound. The O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds are shown as dashed lines (see Table 1 ▸). Only H atoms involved in hydrogen bonding have been included for clarity.

Mentions: In the crystal, N—Hamd⋯Ow (amd = amide; w = water), O—Hw. .Oamd and O—Hw⋯Ndma (dma = di­methyl­amino) hydrogen bonds (Table 1 ▸ and Fig. 2 ▸) link mol­ecules to form slabs lying parallel to (100). Within the slabs there are also C—H⋯O hydrogen bonds and C—H⋯π inter­actions present (Table 1 ▸). The N—Hamd⋯Ow, C—Hphen⋯Ow (phen = phen­oxy), and the O—Hw⋯ Oamd, C—Hphen⋯Oamd and C—Hphen⋯Ow hydrogen bonds form (7) and (7) ring motifs, respectively (Table 1 ▸ and Fig. 3 ▸). The slabs are linked via a pair of inversion-related Cphn—H⋯Nphn (phn = phthalo­nitrile) hydrogen bonds, forming a three-dimensional structure (Table 1 ▸ and Fig. 4 ▸).


Crystal structure of 4-(3,4-di-cyano-phen-oxy)-N-[3-(di-methyl-amino)-prop-yl]benzamide mono-hydrate: a phen-oxy-phthalo-nitrile derivative.

Çolak S, Yıldız SZ, Çaylak Delibaş N, Pişkin H, Hökelek T - Acta Crystallogr E Crystallogr Commun (2015)

Part of the crystal packing of the title compound. The O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds are shown as dashed lines (see Table 1 ▸). Only H atoms involved in hydrogen bonding have been included for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555371&req=5

fig2: Part of the crystal packing of the title compound. The O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds are shown as dashed lines (see Table 1 ▸). Only H atoms involved in hydrogen bonding have been included for clarity.
Mentions: In the crystal, N—Hamd⋯Ow (amd = amide; w = water), O—Hw. .Oamd and O—Hw⋯Ndma (dma = di­methyl­amino) hydrogen bonds (Table 1 ▸ and Fig. 2 ▸) link mol­ecules to form slabs lying parallel to (100). Within the slabs there are also C—H⋯O hydrogen bonds and C—H⋯π inter­actions present (Table 1 ▸). The N—Hamd⋯Ow, C—Hphen⋯Ow (phen = phen­oxy), and the O—Hw⋯ Oamd, C—Hphen⋯Oamd and C—Hphen⋯Ow hydrogen bonds form (7) and (7) ring motifs, respectively (Table 1 ▸ and Fig. 3 ▸). The slabs are linked via a pair of inversion-related Cphn—H⋯Nphn (phn = phthalo­nitrile) hydrogen bonds, forming a three-dimensional structure (Table 1 ▸ and Fig. 4 ▸).

Bottom Line: In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°.The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring.The slabs are linked by a pair of inversion-related C-H⋯N hydrogen bonds, involving phthalo-nitrile rings, forming a three-dimensional structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Sakarya University, 54187 Esentepe, Sakarya, Turkey.

ABSTRACT
In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring. In the crystal, O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules to form slabs parallel to (100). There are also C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions present within the slabs. The slabs are linked by a pair of inversion-related C-H⋯N hydrogen bonds, involving phthalo-nitrile rings, forming a three-dimensional structure.

No MeSH data available.


Related in: MedlinePlus