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metal-organic compounds
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The molecular structure of the title compound, [Zn(CH3COO)2(C12H12N2)], consists of isolated molecules bisected by a twofold rotation axis which goes through the ZnII cation and halves the organic base through the central C—C bond. The ZnII ion is coordinated by two N atoms from one molecule of the aromatic base and four O atoms from two bidentate, symmetry-related acetate anions, which coordinate asymmetrically [Zn—O distances of 2.058 (2) and 2.362 (3) Å], while the two Zn—N bond distances are equal as imposed by symmetry [2.079 (2) Å]. The crystal structure is supported by a number of weak C—H
O interactions and C—Hπ contacts, with no π–π interactions present, mainly hindered by the substituent methyl groups and the relative molecular orientation. The result is a three-dimensional structure in which each molecule is linked to eight different neighbors.
O interactions and C—Hπ contacts, with no π–π interactions present, mainly hindered by the substituent methyl groups and the relative molecular orientation. The result is a three-dimensional structure in which each molecule is linked to eight different neighbors.organic compoundsOpen access
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In the title compound, C10H12N2OS2, the thione and S-methyl groups are syn. An intramolecular bifurcated O—H(S,N) hydrogen bond occurs.
(S,N) hydrogen bond occurs.organic compoundsOpen access
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The molecular structure of the title compound, NH4+·C7H7O4S−, is featureless [the methoxy C atom deviating 0.173 (6) Å from the phenyl mean plane] with interatomic distances and angles in the expected ranges. The main feature of interest is the packing mode. Hydrophilic (SO3 and NH4) and hydrophobic (PhOCH3) parts in the structure segregate, the former interacting through a dense hydrogen-bonding scheme, leading to a well connected two-dimensional structure parallel to (100) and the latter hydrophobic groups acting as spacers for an interplanar separation of c/2 = 10.205 (2) Å. In spite of being aligned along [110], the benzene rings stack in a far from parallel fashion [viz. consecutive ring centers determine a broken line with a 164.72 (12)° zigzag angle], thus preventing any possible π–π interaction.
organic compoundsOpen access
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In the title compound, C14H14N2OS2, the furan ring exhibits rotational disorder over two orientations, with an occupancy ratio of 0.508 (7):0.492 (7). The furan and phenyl rings form dihedral angles of 8.2 (6) (major occupancy component), 14.8 (6) (minor occupancy component) and 73.65 (9)°, respectively, with the central residue (C4N2S2), indicating a twisted conformation for the molecule. The methyl group and the thione S atom are syn and the conformation about the imine bond is E. In the crystal, C—Hπ interactions involving the phenyl ring are observed.
π interactions involving the phenyl ring are observed.organic compoundsOpen access
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The title compound, C4H6N2S3, has two very similar molecules per asymmetric unit. The nine non-H atoms in each molecule are coplanar, both having comparable r.m.s. deviations of 0.002 Å. The main interest in the rather simple structure resides in a survey of very weak (in some cases, borderline) non-bonding interactions of various kinds, viz. SS, C—Hπ, π–π [centroid–centroid distance = 3.8958 (13) Å] and C—Sπ [3.7271 (11) Å], which act as the major driving force for the arrangement of molecules in the structure. The role of long, though highly directional, SS contacts (d > 3.60 Å), and their relevance to the stability of the structure is discussed.
S, C—Hπ, π–π [centroid–centroid distance = 3.8958 (13) Å] and C—Sπ [3.7271 (11) Å], which act as the major driving force for the arrangement of molecules in the structure. The role of long, though highly directional, SS contacts (d > 3.60 Å), and their relevance to the stability of the structure is discussed.
