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Crystal structures of (N-methyl-N-phenyl-amino)(N-methyl-N-phenyl-carbamoyl)sulfide and the corresponding disulfane.

Henley MJ, Schroll AL, Young VG, Barany G - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compounds, (N-methyl-N-phenyl-amino)(N-methyl-N-phenyl-car-bam-oyl)sulfide, C15H16N2OS, (I), and (N-methyl-N-phenyl-amino)-(N-methyl-N-phenyl-carbamo-yl)disulfane, C15H16N2OS2, (II), are stable derivatives of (chloro-carbon-yl)sulfenyl chloride and (chloro-carbon-yl)disulfanyl chloride, respectively.The torsion angle about the S-S bond in (II) is -92.62 (6)°, which is close to the theoretical value of 90°.In the crystal of (II), non-classical inter-molecular C-H⋯O hydrogen bonds form centrosymmetric cyclic dimers [graph set R 2 (2)(10)], while inter-dimer C-H⋯S inter-actions generate chains extending along the b axis.

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Affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA.

ABSTRACT
The title compounds, (N-methyl-N-phenyl-amino)(N-methyl-N-phenyl-car-bam-oyl)sulfide, C15H16N2OS, (I), and (N-methyl-N-phenyl-amino)-(N-methyl-N-phenyl-carbamo-yl)disulfane, C15H16N2OS2, (II), are stable derivatives of (chloro-carbon-yl)sulfenyl chloride and (chloro-carbon-yl)disulfanyl chloride, respectively. The torsion angle about the S-S bond in (II) is -92.62 (6)°, which is close to the theoretical value of 90°. In the crystal of (II), non-classical inter-molecular C-H⋯O hydrogen bonds form centrosymmetric cyclic dimers [graph set R 2 (2)(10)], while inter-dimer C-H⋯S inter-actions generate chains extending along the b axis.

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Crystal packing of (I). H atoms are not shown.
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fig4: Crystal packing of (I). H atoms are not shown.

Mentions: The unit cell of (I) contains two mol­ecules related by a twofold screw axis (Fig. 4 ▸). There are no inter­molecular contacts in the crystal structure of (I). In the crystal of (II) non-classical inter­molecular C7—H⋯O1 hydrogen bonds (Table 2 ▸) form centrosymmetric cyclic dimers [graph set (10)]. Chains of mol­ecules extending along the b axis result from inter-dimer C2—H⋯S1 inter­actions (Fig. 5 ▸).


Crystal structures of (N-methyl-N-phenyl-amino)(N-methyl-N-phenyl-carbamoyl)sulfide and the corresponding disulfane.

Henley MJ, Schroll AL, Young VG, Barany G - Acta Crystallogr E Crystallogr Commun (2015)

Crystal packing of (I). H atoms are not shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645008&req=5

fig4: Crystal packing of (I). H atoms are not shown.
Mentions: The unit cell of (I) contains two mol­ecules related by a twofold screw axis (Fig. 4 ▸). There are no inter­molecular contacts in the crystal structure of (I). In the crystal of (II) non-classical inter­molecular C7—H⋯O1 hydrogen bonds (Table 2 ▸) form centrosymmetric cyclic dimers [graph set (10)]. Chains of mol­ecules extending along the b axis result from inter-dimer C2—H⋯S1 inter­actions (Fig. 5 ▸).

Bottom Line: The title compounds, (N-methyl-N-phenyl-amino)(N-methyl-N-phenyl-car-bam-oyl)sulfide, C15H16N2OS, (I), and (N-methyl-N-phenyl-amino)-(N-methyl-N-phenyl-carbamo-yl)disulfane, C15H16N2OS2, (II), are stable derivatives of (chloro-carbon-yl)sulfenyl chloride and (chloro-carbon-yl)disulfanyl chloride, respectively.The torsion angle about the S-S bond in (II) is -92.62 (6)°, which is close to the theoretical value of 90°.In the crystal of (II), non-classical inter-molecular C-H⋯O hydrogen bonds form centrosymmetric cyclic dimers [graph set R 2 (2)(10)], while inter-dimer C-H⋯S inter-actions generate chains extending along the b axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA.

ABSTRACT
The title compounds, (N-methyl-N-phenyl-amino)(N-methyl-N-phenyl-car-bam-oyl)sulfide, C15H16N2OS, (I), and (N-methyl-N-phenyl-amino)-(N-methyl-N-phenyl-carbamo-yl)disulfane, C15H16N2OS2, (II), are stable derivatives of (chloro-carbon-yl)sulfenyl chloride and (chloro-carbon-yl)disulfanyl chloride, respectively. The torsion angle about the S-S bond in (II) is -92.62 (6)°, which is close to the theoretical value of 90°. In the crystal of (II), non-classical inter-molecular C-H⋯O hydrogen bonds form centrosymmetric cyclic dimers [graph set R 2 (2)(10)], while inter-dimer C-H⋯S inter-actions generate chains extending along the b axis.

No MeSH data available.


Related in: MedlinePlus