The title compound, C(4)H(8)N(5) (+)·C(2)HO(4) (-), was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine. The protonated triazine ring is essentially planar with a maximum deviation of 0.035 (1) Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131 (1) Å for both carbonyl O atoms. In the crystal, the ions are linked by inter-molecular N-H⋯O, N-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network. Weak π-π [centroid-centroid distance = 3.763 Å] and C-O⋯π inter-actions [O⋯centroid = 3.5300 (16) Å, C-O⋯centroid = 132.19 (10)°] are also present.
In the title compound, C(2)H(10)N(2) (2+)·0.5(C(2)O(4))(2-)·NCS(-), the ethyl-enediaminium dication adopts a (+)-synclinal conformation with an N-C-C-N torsion angle of 62.64 (15)°. The oxalate dianion lies across an inversion centre. In the crystal structure, the ions are linked through N-H⋯N, N-H⋯O and C-H⋯S hydrogen bonds, leading to the formation of a three-dimensional network.
The asymmetric unit of the title compound, C(11)H(13)Br(1)N(2)O(1)S(1), consists of two independent mol-ecules, which are linked by N-H⋯O hydrogen bonds, forming a dimer. Both mol-ecules maintain the trans--cis configuration with respect to the position of the butanoyl groups and benzene rings against the thiono group across the C-N bonds. The mol-ecule is stabilized by intra-molecular N-H⋯O hydrogen bonds. Inter-molecular N-H⋯S, C-H⋯S and C-H⋯π inter-actions also occur.
In the title compound, C(22)H(17)ClN(4)O(2)S(2), both benzoyl groups are trans to the thiono group across their C-N bonds. The two methyl-ene carbamothioyl formamide fragments of the benzoyl-thio-urea side arms make a dihedral angle of 87.00 (10)°. The mol-ecule is stabilized by intra-molecular N-H⋯O, N-H⋯S and C-H⋯·S hydrogen bonds. In the crystal, mol-ecules are linked by N-H⋯O and N-H⋯S inter-molecular hydrogen bonds into zigzag chains along the a axis.
In the title compound, C(24)H(22)N(4)O(2)S(2), the dihedral angles formed by the thio-ureido groups with the attached benzene ring are 43.81 (13) and 75.25 (13)°. The dihedral angle between the thio-ureido groups is 85.48 (10)°. The mol-ecule is stabilized by intra-molecular N-H⋯S, N-H⋯O and C-H⋯S hydrogen bonds. In the crystal, molecules are linked by intermolecular N-H⋯S hydrogen bonds together with C-H⋯π inter-actions.
The title salt, C(9)H(18)NO(+)·C(7)H(3)ClNO(4) (-), was obtained as an unexpected product of the reaction of 4-chloro-3-nitro-benzoyl isothio-cyanate with pyrrolidine. The six-membered ring of the 4-oxopiperidinium cation adopts a chair conformation. In the crystal structure, two cations and three anions are linked together by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds and arranged diagonally along the ac face.
In the title compound, C(13)H(15)ClN(2)S, the dihydro-pyrimidine ring is essentially planar, with a maximum deviation from the least-squares plane of 0.122 (3) Å for the unsubstitued olefinic C atom. The dihedral angle between the dihydro-pyrimidine and benzene rings is 86.62 (13)°. The crystal structure is stabilized by inter-molecular N-H⋯S hydrogen bonds, which form centrosymmetric dimers arranged along the c axis.
In the title compound, C(7)H(7)BrN(2)S, the thio-urea unit is almost perpendicular to the bromo-benzene fragment, making a dihedral angle of 80.82 (16)°. The crystal structure is stabilized by N-H⋯S inter-molecular hydrogen bonds, which form linear chains along the ab diagonal.
The reaction of propionyl isothio-cyanate with valine was found to give the title compound, C(8)H(15)NO(3), instead of the expected thio-urea product. The whole mol-ecule is non-planar and the carbonyl group is cis to the methyl-butanoic acid group across the C-N bond. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds build up a two-dimensional network developing parallel to (100).
In the title compound, C(20)H(15)ClN(2)OS, the benzene rings of the biphenyl group are at an angle of 44.23 (12)°. The C(4)N(2)OS central thio-urea fragment makes dihedral angles with the benzene carbonyl and chloro-benzene rings of 55.96 (9) and 64.09 (9)°, respectively. The trans-cis geometry of the thio-urea group is stabilized by the intra-molecular hydrogen bond between the carbonyl O atom and the H atom of the cis-thio-amide. In the crystal structure, mol-ecules are linked by N-H⋯S and N-H⋯O inter-molecular hydrogen bonds to form one-dimensional chains along the c axis. C-H⋯π inter-actions also contribute to the stability of the mol-ecule.
The mol-ecule of the title compound, C(4)H(8)N(2)OS, is essentially planar; it adopts a trans configuration with respect to the position of the propionyl group relative to the thiono S atom about the C-N bond. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond between the propionyl O atom and the amide H atom. Mol-ecules are linked into a two-dimensional network parallel to the (10) plane by N-H⋯O and N-H⋯S inter-molecular hydrogen bonds.
The title salt, C5H11N2S(+)·C7H4ClO2 (-), comprises a 2-amino-3-ethyl-4,5-di-hydro-1,3-thia-zol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methyl-ene C adjacent to the S atom being the flap, and a planar 3-chloro-benzoate anion (r.m.s. deviation for the 10 non-H atoms = 0.021 Å). The most prominent feature of the crystal packing are N-H⋯O hydrogen bonds whereby the two amine H atoms bridge two carboxyl-ate O atoms resulting in the formation of a centrosymmetric 12-membered {⋯HNH⋯OCO}2 synthon involving two cations and two anions. These aggregates are linked by C-H⋯O inter-actions to form a supra-molecular chain along the a-axis direction.
The complete title molecule, C23H19N3O2, is generated by a twofold axis passing through the central ring. The two oxymethyl-benzo-nitrile arms are attached at the meta positions of the central pyridine ring. The dihedral angle between the pyridine ring and benzene ring of both arms is 84.55 (6)° while the benzene rings make a dihedral angle of 46.07 (7)°. In the crystal, weak C-H⋯π inter-actions link the molecules sheets parallel to the ac plane.
In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41 (8)°. An intra-molecular N-H⋯O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H⋯S and O-H⋯O hydrogen bonds link the molecules, forming chains along the b-axis direction.
In the title compound C13H10ClN3O3S, the benzoyl group maintains its trans conformation against the thiono group about the C-N bond and the intra-molecular hydrogen bond between the benzoyl O atom and thio-amide H atom. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules, forming chains along the b-axis direction. In addition, C-H⋯π inter-actions occur between a phenyl H atom and the furan ring.
α-Mangostin was extracted with methanol from the rind of mangosteen fruit and purified by using silica gel column chromatography technique. The compound is characterised using infrared, (13)C and (1)H NMR as well as UV-vis spectroscopy. The α-mangostin dispersion in colloidal systems was studied by incorporating it with an ionic microgel, poly (N-Isopropylacrylamide)-co-2VP at different pH.
In the mol-ecule of the title compound, C(12)H(13)N(3)O(3)S, the pyrrolidine ring adopts a half-chair conformation and the dihedral angle formed by the nitro group with the benzene ring is 15.18 (18)°. In the crystal, mol-ecules are linked by N-H⋯S and C-H⋯O inter-molecular hydrogen bonds into chains parallel to the c axis.
The title compound, C(6)H(15)N(2) (+)·NCS(-), was obtained unexpectedly from the reaction mixture of benzoyl chloride, ammonium thio-cyanate and cyclo-hexane-1,2-diamine. The cyclo-hexane ring adopts a chair conformation. In the crystal, N-H⋯S and N-H⋯N inter-actions involving the thio-cyanate anion and both the amine and the aminium N atoms link the mol-ecules, forming two-dimensional networks parallel to (001).
In the title compound, [Cu₂Cl₄(C₁₆H₃₂N₄)](n), the central Cu(II) anion of the macrocyclic complex cation is weakly linked to two Cl atoms of the tetrachloridocuprate anion with Cu-Cl distances of 3.008 (3) and 3.220 (3) Å, respectively, forming a chain parallel to [10-1]. The geometry of the Cu-macrocyclic complex is distorted octa-hedral with the bridging Cl atoms occupying the axial position at an angle of 173.44 (7)° about the central Cu(II) atom. The tetrachloridocuprate anion adopts a distorted tetra-hedral geometry. In the crystal, the chain is stabilized by intra- and inter-molecular N-H⋯Cl hydrogen bonds.