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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.

ABSTRACT: 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.

SUBMITTER: Mague JT

PROVIDER: S-EPMC4518929 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-{(1E)-1-[(3-{(E)-[1-(2-Hy-droxy-4-meth-oxy-phen-yl)ethyl-idene]amino}-2,2-di-methyl-prop-yl)imino]-eth-yl}-5-meth-oxy-phenol.

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Project description:The crystal structure of the title compound, C(15)H(17)N(3)O(4), is stabilized by inter-molecular N-H⋯N hydrogen bonds. An intra-molecular N-H⋯O hydrogen bond also occurs.

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Project description:The title compound, C(19)H(24)N(2)O(2), adopts the phenol-imine tautomeric form. An intra-molecular O-H⋯N hydrogen bond results in the formation of a six-membered ring. The aromatic rings are oriented at a dihedral angle of 17.33 (16)°. Inter-molecular C-H⋯π inter-actions occur in the crystal.

| S-EPMC3051950 | biostudies-literature

Methyl (2Z)-3-[(4-nitro-phen-yl)carbamo-yl]prop-2-enoate.

Project description:In the title compound, C(11)H(10)N(2)O(5), the amide group is nearly coplanar and the ester group approximately perpendicular to the vinyl C-HC=CH-C group [dihedral angles of 5.0?(2) and 88.89?(5)°, respectively]. This results in a short intra-molecular O =C?O=C contact of 2.7201?(17)?Å between the amide O atom and the ester carbonyl C atom. The prop-2-enamide fragment and the nitro group make dihedral angles of 20.42?(6) and 13.54?(17)°, respectively, with the benzene ring. An intra-molecular C-H?O inter-action between the benzene ring and the amide group generates an S(6) ring motif. Inter-molecular C-H?O and N-H?O hydrogen bonds complete R(2) (2)(11) ring motifs and join mol-ecules into [100] chains.

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Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1E)-({1-(4-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.

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