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Crystal structure of 1-(cyclo-pentyl-idene-amino)-3-(prop-2-en-1-yl)thio-urea.

ABSTRACT: In the title compound, C9H15N3S, the cyclo-pentyl ring adopts an envelope conformation with one of the methyl-ene C atoms as the flap. The thio-semicarbazide fragment is almost planar (r.m.s. deviation = 0.038?Å) and a short intra-molecular N-H?N contact occurs. In the crystal, mol-ecules are linked into helical (41 symmetry) chains propagating in [001] by N-H?N and N-H?S hydrogen bonds. A very weak C-H?S inter-action is also observed.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC4719883 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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

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Project description:In the title compound, C(14)H(19)N(3)S, the cyclo-hexane ring has a chair conformation. The almost planar amino-thio-urea unit (r.m.s. deviation = 0.0062?Å) is aligned at a dihedral angle of 45.23?(8)° with respect to the benzene ring. Inter-molecular N-H?N and N-H?S hydrogen bonding stabilizes the crystal structure.

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Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate.

Project description:The title mol-ecule, C19H22N6O2S2, has crystallographically imposed C 2 symmetry, with the central C atom lying on the rotation axis. The O-C-C-C torsion angle for the central chain is -59.22 (16)° and the dihedral angle between the planes of the benzene rings is 75.20 (7)°. In the crystal, N-H⋯O and N-H⋯S inter-actions link the mol-ecules, forming a three-dimensional network encompassing channels running parallel to the c axis, which account for about 20% of the unit-cell volume. The contribution to the scattering from the highly disordered solvent mol-ecules in these channels was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in PLATON. The stated crystal data for M r, μ etc. do not take these into account.

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