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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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[2-(3,4-Di-meth-oxy-phen-yl)eth-yl](3-{N-[2-(3,4-di-meth-oxy-phen-yl)eth-yl]carbamo-yl}prop-yl)aza-nium chloride dihydrate.

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2-((E)-{4-[Bis(4-eth-oxy-phen-yl)amino]-phen-yl}imino-meth-yl)phenol.

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Crystal stucture of methyl 2-({[2-(meth-oxy-carbon-yl)phen-yl]carbamo-yl}amino)-benzoate.

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2-((E)-{2-[(1E)-(2,4-Dihydroxy-benzyl-idene)amino]phen-yl}iminiometh-yl)-5-hydroxy-phenolate methanol solvate.

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2-Eth-oxy-ethyl (Z)-2-cyano-3-[(N-phenyl-carbamo-yl)amino]-prop-2-enoate.

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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5-Diethyl-amino-2-[(E)-(2,4-dimeth-oxy-phen-yl)imino-meth-yl]phenol.

Project description:The title Schiff base, C(19)H(24)N(2)O(3), exists in the crystal structure in the phenol-imine tautomeric form with an intra-molecular O-H?N hydrogen bond. The planes of the aromatic rings form a dihedral angle of 36.8?(8)°. The crystal packing is characterized by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.478?(4)Å].

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5-Diethyl-amino-2-[(E)-(4-eth-oxy-phen-yl)imino-meth-yl]phenol.

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.

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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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(E)-1-(4-Amino-phen-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:Mol-ecules of the title amino-chalcone, C(18)H(19)NO(4), are twisted, with a dihedral angle of 11.26?(6)° between the 4-amino-phenyl and 2,4,5-trimeth-oxy-phenyl rings. The conformations of the three meth-oxy groups with respect to the benzene ring are slightly different. Two meth-oxy groups are almost coplanar with the attached benzene ring [C-O-C-C torsion angles of -1.45?(19) and 1.5?(2)°], while the third is (-)-synclinal with the attached benzene ring [C-O-C-C = -81.36?(17)°]. In the crystal structure, mol-ecules are stacked into columns along the b axis and mol-ecules in adjacent columns are linked by N-H?O hydrogen bonds into V-shaped double columns. Weak ?-? inter-actions are also observed, with a centroid-centroid distance of 3.7532?(8)?Å.

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