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1-[(Cyclo-hexyl-idene)amino]-3-(prop-2-en-1-yl)thio-urea.

Mohamed SK, Mague JT, Akkurt M, Hassan AA, Albayati MR - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The asymmetric unit of the title compound, C10H17N3S, consists of three symmetry-independent mol-ecules with distinctly different conformations, as indicated for example by the C-N-C-C torsion angles of -155.9 (3), 89.9 (3) and 81.1 (4)° along the bond between thio-urea and allyl units.In the crystal, mol-ecules are connected via N-H⋯N and N-H⋯S hydrogen bonds into chains extending along [110] that are further associated through C-H⋯N inter-actions into layers parallel to (001).The allyl group in one of the independent mol-ecules is disordered over two sets of sites with an occupancy ratio of 0.853 (6):0.147 (6).

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Affiliation: Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.

ABSTRACT
The asymmetric unit of the title compound, C10H17N3S, consists of three symmetry-independent mol-ecules with distinctly different conformations, as indicated for example by the C-N-C-C torsion angles of -155.9 (3), 89.9 (3) and 81.1 (4)° along the bond between thio-urea and allyl units. In the crystal, mol-ecules are connected via N-H⋯N and N-H⋯S hydrogen bonds into chains extending along [110] that are further associated through C-H⋯N inter-actions into layers parallel to (001). The allyl group in one of the independent mol-ecules is disordered over two sets of sites with an occupancy ratio of 0.853 (6):0.147 (6).

No MeSH data available.


Related in: MedlinePlus

Asymmetric unit of the title compound with intermolecular hydrogen bonds shown as dotted lines. Ellipsoids are drawn at the 50% probability level. Only the major contributor to the disordered allyl group in the molecule 1 (with S1) is shown.
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Fap1: Asymmetric unit of the title compound with intermolecular hydrogen bonds shown as dotted lines. Ellipsoids are drawn at the 50% probability level. Only the major contributor to the disordered allyl group in the molecule 1 (with S1) is shown.


1-[(Cyclo-hexyl-idene)amino]-3-(prop-2-en-1-yl)thio-urea.

Mohamed SK, Mague JT, Akkurt M, Hassan AA, Albayati MR - Acta Crystallogr Sect E Struct Rep Online (2014)

Asymmetric unit of the title compound with intermolecular hydrogen bonds shown as dotted lines. Ellipsoids are drawn at the 50% probability level. Only the major contributor to the disordered allyl group in the molecule 1 (with S1) is shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120545&req=5

Fap1: Asymmetric unit of the title compound with intermolecular hydrogen bonds shown as dotted lines. Ellipsoids are drawn at the 50% probability level. Only the major contributor to the disordered allyl group in the molecule 1 (with S1) is shown.
Bottom Line: The asymmetric unit of the title compound, C10H17N3S, consists of three symmetry-independent mol-ecules with distinctly different conformations, as indicated for example by the C-N-C-C torsion angles of -155.9 (3), 89.9 (3) and 81.1 (4)° along the bond between thio-urea and allyl units.In the crystal, mol-ecules are connected via N-H⋯N and N-H⋯S hydrogen bonds into chains extending along [110] that are further associated through C-H⋯N inter-actions into layers parallel to (001).The allyl group in one of the independent mol-ecules is disordered over two sets of sites with an occupancy ratio of 0.853 (6):0.147 (6).

View Article: PubMed Central - HTML - PubMed

Affiliation: Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.

ABSTRACT
The asymmetric unit of the title compound, C10H17N3S, consists of three symmetry-independent mol-ecules with distinctly different conformations, as indicated for example by the C-N-C-C torsion angles of -155.9 (3), 89.9 (3) and 81.1 (4)° along the bond between thio-urea and allyl units. In the crystal, mol-ecules are connected via N-H⋯N and N-H⋯S hydrogen bonds into chains extending along [110] that are further associated through C-H⋯N inter-actions into layers parallel to (001). The allyl group in one of the independent mol-ecules is disordered over two sets of sites with an occupancy ratio of 0.853 (6):0.147 (6).

No MeSH data available.


Related in: MedlinePlus