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The title compound, C12H15N3O2S, adopts an E configuration with respect to the C=N bond. The propionate group adopts an antiperiplanar (ap) conformation. There are short intramolecular N--H...N and C--H...O contacts, forming S(5) and S(6) ring motifs, respectively. In the crystal, molecules are connected into ribbons extending parallel to [010] by pairs of N--H...S interactions, forming rings with R2²(8) graph-set motifs, and by pairs of C--H...S interactions, where rings with the graph-set motif R2¹(7) are observed. The O atom of the carbonyl group is disordered over two positions, with a refined occupancy ratio of 0.27 (2):0.73 (2). The studied crystal consisted of two domains. [ABSTRACT FROM AUTHOR]

The title compounds, C24H22O6 (I) and C24H22O6 (II), each crystallize with half a mol­ecule in the asymmetric unit. The whole mol­ecule of compound (I) is generated by twofold rotation symmetry, the twofold axis bis­ecting the central benzene ring. The whole mol­ecule of compound (II) is generated by inversion symmetry, the central benzene ring being located on an inversion center. In (I), the outer benzene rings are inclined to each other by 59.96 (10)° and by 36.74 (9)° to the central benzene ring. The corresponding dihedral angles in (II) are 0.0 and 89.87 (12)°. In the crystal of (I), mol­ecules are linked by C—H⋯O hydrogen bonds and C—H⋯π inter­actions, forming ribbons propagating along the [10] direction. In the crystal of (II), mol­ecules are linked by C—H⋯O hydrogen bonds, forming a supra­molecular framework. The Hirshfeld surface analyses indicate that for both compounds the H⋯H contacts are the most significant, followed by O⋯H/H⋯O and C⋯H/H⋯C contacts. [ABSTRACT FROM AUTHOR]

In the title compounds, C11H12N6OS (I) and C10H11N7OS (II), the di­amino­pyrimidine ring makes dihedral angles of 71.10 (9)° with the pyridine ring in (I) and 62.93 (15)° with the pyrazine ring in (II). The ethanamine group, –CH2–C(=O)–NH– lies in the plane of the pyridine and pyrazine rings in compounds (I) and (II), respectively. In both compounds, there is an intra­molecular N—H⋯N hydrogen bond forming an S(7) ring motif and a short C—H⋯O inter­action forming an S(6) loop. In the crystals of both compounds, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R22(8) ring motifs. In (I), the dimers are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming layers parallel to (1). The layers are linked by offset π–π inter­actions [inter­centroid distance = 3.777 (1) Å], forming a three-dimensional supra­molecular structure. In (II), the dimers are linked by N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds, also forming a three-dimensional supra­molecular structure. [ABSTRACT FROM AUTHOR]

In the title compounds, C14H17N5OS (I) and C13H15N5O2S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intramolecular C-H⋯O hydrogen bond, and in (II) there is also an intramolecular N-H⋯N hydrogen bond present. In the crystals of both compounds, a pair of N-H⋯N hydrogen bonds links the individual molecules to form inversion dimers with R2²(8) ring motifs. In (I), the dimers are linked by N-H⋯O and C-H⋯O hydrogen bonds, enclosing R2¹(14), R2¹ (11) and R2¹ (7) ring motifs, forming layers parallel to the (100) plane. There is also an N-H⋯π interaction present within the layer. In (II), the inversion dimers are linked by N-H⋯O hydrogen bonds enclosing an R44(18) ring motif. The presence of N-H⋯O and C-H⋯O hydrogen bonds generate an R2¹(6) ring motif. The combination of these various hydrogen bonds results in the formation of layers parallel to the (1-11) plane. [ABSTRACT FROM AUTHOR]

The title compounds, C12H12ClN5OS, (I), and C12H12ClN5OS, (II), are 2-[(diaminopyrimidin-2-yl)sulfanyl]acetamides. Compound (II), crystallizes with two independent molecules (A and B) in the asymmetric unit. In each of the molecules, in both (I) and (II), an intramolecular N--H...N hydrogen bond forms an S(7) ring motif. The pyrimidine ring is inclined to the benzene ring by 42.25 (14)° in (I), and by 59.70 (16) and 62.18 (15)° in molecules A and B, respectively, of compound (II). In the crystal of (I), molecules are linked by pairs of N--H...N hydrogen bonds, forming inversion dimers with an R2(8) ring motif. The dimers are linked via bifurcated N--H...O and C--H...O hydrogen bonds, forming corrugated layers parallel to the ac plane. In the crystal of (II), the A molecules are linked through N--H...O and N--H...Cl hydrogen bonds, forming layers parallel to (100). The B molecules are also linked by N--H...O and N--H...Cl hydrogen bonds, also forming layers parallel to (100). The parallel layers of A and B molecules are linked via N--H...N hydrogen bonds, forming a three-dimensional structure. [ABSTRACT FROM AUTHOR]

The title compounds, C16H15N5OS, (I), and C12H12FN5OS, (II), are [(diaminopyrimidine) sulfanyl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to the benzene ring by 58.93 (8)°. In (II), there is an intramolecular N--H⋯N hydrogen bond and a short C--H⋯O contact. In the crystals of (I) and (II), molecules are linked by pairs of N--H⋯N hydrogen bonds, forming inversion dimers with R²2(8) ring motifs. In the crystal of (I), the dimers are linked by bifurcated N--H⋯(O,O) and C--H⋯O hydrogen bonds, forming layers parallel to (100). In the crystal of (II), the dimers are linked by N--H⋯O hydrogen bonds, also forming layers parallel to (100). The layers are linked by C--H⋯F hydrogen bonds, forming a three-dimensional architecture. [ABSTRACT FROM AUTHOR]

In the title compounds, C11H13N3O2S, (I), and C16H15N3O2S, (II), the thiosemicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II), the planes of the two aryl rings are inclined to one another by 46.70 (7)°. In both compounds, there is a short intramolecular N-H…N contact present, forming an S(5) ring motif. In the crystals of both compounds, molecules are linked via pairs of N-H…S hydrogen bonds, forming dimers with R22(8) ring motifs. The dimers are linked by N-H…S and N-H…O hydrogen bonds, forming slabs parallel to (011). In (I), there are N-H…π and C-H…π interactions present within the slabs, while in (II), there are only N-H…π interactions present. [ABSTRACT FROM AUTHOR]

In the first of the compounds reported herein, namely 6'-ferrocenyl-6a'-nitro-60,6a',6b',70,9',11a'-hexahydro-2H-spiro[acenaphthylene-1,11'-chro-meno[3',4':3,4]pyrrolo[1,2-c]thiazol]-2-one, [Fe(C5H5)(C29H21N2O4S)], (I), the thiazolidine ring adopts a twist conformation on the methine N-C atoms. In the second compound, viz. 6'-(4-methoxyphenyl)-6a'-nitro-6',6a',6b',7',9',11a'-hexa-hydro-2H-spiro[acenaphthylene-1,110-chromeno[3',4':3,4]pyrrolo[1,2-c]thiazol]-2-one, [Fe(C5H5)(C26H19N2O5S)], (II), the thiazolidine ring adopts an envelope conformation with a methine C atom as the flap. In both compounds, the pyrrolidine ring adopts a twist conformation on the thiazolidine and tetrahydropyran C atoms. The mean planes of the thiazolidine and pyrrolidine rings subtend angles of 67.30 (1) and 62.95 (7)° in (I) and (II), respectively, while the mean plane of the pyrrolidine ring makes dihedral angles of 76.53 (1) and 87.74 (7)° with the acenaphthylene ring system in (I) and (II), respectively. In both compounds, an intramolecular C-Hℭ-O hydrogen bond forms an S(7) ring motif. In the crystal of (I), molecules are linked via two different C-Hℭ-O hydrogen bonds, forming chains along [001] and [100]. In (II), they are linked through C-Hℭ-O hydrogen bonds, forming dimers with an R22(10) ring motif while C-Hℭ-π interactions link the molecules in a head-to-tail fashion, forming chains along the a-axis direction. [ABSTRACT FROM AUTHOR]