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4-(4-Amino-phenyl-sulfon-yl)aniline-1,3,5-trinitro-benzene (1/2).

Smith G, Wermuth UD - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the two independent Dapsone mol-ecules, the inter-ring dihedral anges are 69.6 (3) and 63.63 (9)°.Aromatic π-π inter-actions are also found between one of the Dapsone aromatic rings and a trinitro-benzene ring [minimum ring centroid separation = 3.596 (3) Å].A 4-amino-phenyl ring moiety of one of the Dapsone mol-ecules and two nitro groups of a trinitro-benzene are disordered in a 50:50 ratio.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Science and Technology, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.

ABSTRACT
The asymmetric unit of the title co-crystalline 1:2 adduct, C(12)H(12)N(2)O(2)·2C(6)H(3)N(3)O(6), contains two independent mol-ecules of bis-(4-amino-phen-yl) sulfone (the drug Dapsone) and four mol-ecules of 1,3,5-trinitro-benzene and is extended into a two-dimensional hydrogen-bonded network structure through amino N-H⋯O hydrogen-bonding associations with nitro O-atom acceptors. In the two independent Dapsone mol-ecules, the inter-ring dihedral anges are 69.6 (3) and 63.63 (9)°. Aromatic π-π inter-actions are also found between one of the Dapsone aromatic rings and a trinitro-benzene ring [minimum ring centroid separation = 3.596 (3) Å]. A 4-amino-phenyl ring moiety of one of the Dapsone mol-ecules and two nitro groups of a trinitro-benzene are disordered in a 50:50 ratio.

No MeSH data available.


Related in: MedlinePlus

The hydrogen-bonding viewed down the a axial direction of the unit cell. The disordered ring component of the A Dapsone molecule is omitted together with non-interactive hydrogen atoms while hydrogen bonds are shown as dashed lines. Symmetry codes: i -x+1, -y+1, -z; ii -x+1, -y+1, -z+1; iii -x+2, -y+1, -z+1; iv x-1, y-1, z; v -x+2, -y+1, -z.
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Fap2: The hydrogen-bonding viewed down the a axial direction of the unit cell. The disordered ring component of the A Dapsone molecule is omitted together with non-interactive hydrogen atoms while hydrogen bonds are shown as dashed lines. Symmetry codes: i -x+1, -y+1, -z; ii -x+1, -y+1, -z+1; iii -x+2, -y+1, -z+1; iv x-1, y-1, z; v -x+2, -y+1, -z.


4-(4-Amino-phenyl-sulfon-yl)aniline-1,3,5-trinitro-benzene (1/2).

Smith G, Wermuth UD - Acta Crystallogr Sect E Struct Rep Online (2012)

The hydrogen-bonding viewed down the a axial direction of the unit cell. The disordered ring component of the A Dapsone molecule is omitted together with non-interactive hydrogen atoms while hydrogen bonds are shown as dashed lines. Symmetry codes: i -x+1, -y+1, -z; ii -x+1, -y+1, -z+1; iii -x+2, -y+1, -z+1; iv x-1, y-1, z; v -x+2, -y+1, -z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3275240&req=5

Fap2: The hydrogen-bonding viewed down the a axial direction of the unit cell. The disordered ring component of the A Dapsone molecule is omitted together with non-interactive hydrogen atoms while hydrogen bonds are shown as dashed lines. Symmetry codes: i -x+1, -y+1, -z; ii -x+1, -y+1, -z+1; iii -x+2, -y+1, -z+1; iv x-1, y-1, z; v -x+2, -y+1, -z.
Bottom Line: In the two independent Dapsone mol-ecules, the inter-ring dihedral anges are 69.6 (3) and 63.63 (9)°.Aromatic π-π inter-actions are also found between one of the Dapsone aromatic rings and a trinitro-benzene ring [minimum ring centroid separation = 3.596 (3) Å].A 4-amino-phenyl ring moiety of one of the Dapsone mol-ecules and two nitro groups of a trinitro-benzene are disordered in a 50:50 ratio.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Science and Technology, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.

ABSTRACT
The asymmetric unit of the title co-crystalline 1:2 adduct, C(12)H(12)N(2)O(2)·2C(6)H(3)N(3)O(6), contains two independent mol-ecules of bis-(4-amino-phen-yl) sulfone (the drug Dapsone) and four mol-ecules of 1,3,5-trinitro-benzene and is extended into a two-dimensional hydrogen-bonded network structure through amino N-H⋯O hydrogen-bonding associations with nitro O-atom acceptors. In the two independent Dapsone mol-ecules, the inter-ring dihedral anges are 69.6 (3) and 63.63 (9)°. Aromatic π-π inter-actions are also found between one of the Dapsone aromatic rings and a trinitro-benzene ring [minimum ring centroid separation = 3.596 (3) Å]. A 4-amino-phenyl ring moiety of one of the Dapsone mol-ecules and two nitro groups of a trinitro-benzene are disordered in a 50:50 ratio.

No MeSH data available.


Related in: MedlinePlus