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Crystal structures of 4-meth-oxy-N-(4-methyl-phenyl)benzene-sulfonamide and N-(4-fluoro-phenyl)-4-meth-oxy-benzene-sulfonamide.

Rodrigues VZ, Preema CP, Naveen S, Lokanath NK, Suchetan PA - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In (I), the benzene-sulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°.In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°.Further, a pair of C-H⋯O inter-molecular inter-actions consolidate the crystal packing of (II) into a three-dimensional supra-molecular architecture.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of PG Studies and Research in Chemistry, St Aloysius College, Mangalore, India.

ABSTRACT
Crystal structures of two N-(ar-yl)aryl-sulfonamides, namely, 4-meth-oxy-N-(4-methyl-phen-yl)benzene-sulfonamide, C14H15NO3S, (I), and N-(4-fluoro-phen-yl)-4-meth-oxy-benzene-sulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzene-sulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N-H⋯O hydrogen bonds form infinite C(4) chains extended in [010], and inter-molecular C-H⋯πar-yl inter-actions link these chains into layers parallel to the ab plane. The crystal structure of (II) features N-H⋯O hydrogen bonds forming infinite one dimensional C(4) chains along [001]. Further, a pair of C-H⋯O inter-molecular inter-actions consolidate the crystal packing of (II) into a three-dimensional supra-molecular architecture.

No MeSH data available.


A portion of the crystal packing of (I), viewed approximately along [010] and showing inter­molecular hydrogen bonds as thin blue lines. Only the major component of the disordered benzene ring is shown. H atoms not involved in hydrogen bonding have been omitted for clarity.
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fig3: A portion of the crystal packing of (I), viewed approximately along [010] and showing inter­molecular hydrogen bonds as thin blue lines. Only the major component of the disordered benzene ring is shown. H atoms not involved in hydrogen bonding have been omitted for clarity.

Mentions: In the crystal structure of (I), N1—H1⋯O2 hydrogen bonds (Table 1 ▸) link the mol­ecules into infinite one-dimensional C(4) chains along [010]. Neighbouring C(4) chains are inter­connected via C—H⋯πar­yl inter­actions (Table 1 ▸) into layers (Fig. 3 ▸) parallel to the ab plane.


Crystal structures of 4-meth-oxy-N-(4-methyl-phenyl)benzene-sulfonamide and N-(4-fluoro-phenyl)-4-meth-oxy-benzene-sulfonamide.

Rodrigues VZ, Preema CP, Naveen S, Lokanath NK, Suchetan PA - Acta Crystallogr E Crystallogr Commun (2015)

A portion of the crystal packing of (I), viewed approximately along [010] and showing inter­molecular hydrogen bonds as thin blue lines. Only the major component of the disordered benzene ring is shown. H atoms not involved in hydrogen bonding have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645005&req=5

fig3: A portion of the crystal packing of (I), viewed approximately along [010] and showing inter­molecular hydrogen bonds as thin blue lines. Only the major component of the disordered benzene ring is shown. H atoms not involved in hydrogen bonding have been omitted for clarity.
Mentions: In the crystal structure of (I), N1—H1⋯O2 hydrogen bonds (Table 1 ▸) link the mol­ecules into infinite one-dimensional C(4) chains along [010]. Neighbouring C(4) chains are inter­connected via C—H⋯πar­yl inter­actions (Table 1 ▸) into layers (Fig. 3 ▸) parallel to the ab plane.

Bottom Line: In (I), the benzene-sulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°.In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°.Further, a pair of C-H⋯O inter-molecular inter-actions consolidate the crystal packing of (II) into a three-dimensional supra-molecular architecture.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of PG Studies and Research in Chemistry, St Aloysius College, Mangalore, India.

ABSTRACT
Crystal structures of two N-(ar-yl)aryl-sulfonamides, namely, 4-meth-oxy-N-(4-methyl-phen-yl)benzene-sulfonamide, C14H15NO3S, (I), and N-(4-fluoro-phen-yl)-4-meth-oxy-benzene-sulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzene-sulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N-H⋯O hydrogen bonds form infinite C(4) chains extended in [010], and inter-molecular C-H⋯πar-yl inter-actions link these chains into layers parallel to the ab plane. The crystal structure of (II) features N-H⋯O hydrogen bonds forming infinite one dimensional C(4) chains along [001]. Further, a pair of C-H⋯O inter-molecular inter-actions consolidate the crystal packing of (II) into a three-dimensional supra-molecular architecture.

No MeSH data available.