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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

Packing viewed down the c axis showing intermolecular hydrogen bonding interactions as dotted lines (blue: N—H···N; yellow: N—H···S; black: C—H···N). For the sake of clarity, H atoms, not involved in hydrogen bonds, and minor component of the disordered group have been omitted.
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Fap2: Packing viewed down the c axis showing intermolecular hydrogen bonding interactions as dotted lines (blue: N—H···N; yellow: N—H···S; black: C—H···N). For the sake of clarity, H atoms, not involved in hydrogen bonds, and minor component of the disordered group have been omitted.


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)

Packing viewed down the c axis showing intermolecular hydrogen bonding interactions as dotted lines (blue: N—H···N; yellow: N—H···S; black: C—H···N). For the sake of clarity, H atoms, not involved in hydrogen bonds, and minor component of the disordered group have been omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

Fap2: Packing viewed down the c axis showing intermolecular hydrogen bonding interactions as dotted lines (blue: N—H···N; yellow: N—H···S; black: C—H···N). For the sake of clarity, H atoms, not involved in hydrogen bonds, and minor component of the disordered group have been omitted.
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