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In the title compound, C15H13N3O4, the pyridine and benzene rings are nearly perpendicular [dihedral angle = 84.24 (5)°]. In the crystal structure, classical O—H⋯N hydrogen bonding between the OH group of the carboxyl unit and a neighbouring pyridine ring N atom and N—H⋯O hydrogen bonding between the imine NH group and a neighbouring O atom of an acyl unit, together with complementary non-classical C—H⋯O hydrogen bonds between carboxyl O atoms and neighbouring CH groups, link the molecules into a three-dimensional system.
doi:10.1107/S1600536810017083
PMCID: PMC2979532
PMID: 21579430
In the title compound, C13H12ClN3·H2O, the organic molecule is almost planar, with a dihedral angle of 3.22 (10)° between the benzene and pyridine rings. The crystal structure is stabilized by O—H⋯N and C—H⋯O hydrogen bonding and π–π stacking interactions [centroid–centroid distances = 3.630 (1) and 3.701 (1) Å].
doi:10.1107/S1600536810015709
PMCID: PMC2979526
PMID: 21579416
In the title compound, C13H10N4O5·0.5C2H5OH, the two benzene rings form a dihedral angle of 4.29 (9)°. The ethanol solvent molecule was treated as disordered between two orientations related by symmetry (center of inversion), with occupancies fixed at 0.5. The crystal packing, stabilized by intermolecular O—H⋯O and N—H⋯O hydrogen bonds and π–π interactions [indicated by the short distance of 3.7299 (7) Å between the centroids of benzene rings from neighbouring molecules], exhibits short intermolecular O⋯O contacts of 2.8226 (3) Å.
doi:10.1107/S1600536810045782
PMCID: PMC3011783
PMID: 21589441
In the title compound, C16H13ClFN3O2S, the dihedral angle between the benzene rings is 4.47 (3)°. The conformation of the thiazine ring is a half-chair and the Cl atom is in an axial orientation. In the crystal, molecules are linked by C—H⋯F interactions, generating C(12) chains propagating in [011]. Aromatic π–π stacking interactions [centroid–centroid separations = 3.753 (2) and 3.758 (2) Å] also occur.
doi:10.1107/S1600536812021654
PMCID: PMC3379366
PMID: 22719564
In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N—N=C torsion angle is 167.7 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C—H⋯O interactions link the molecules into C(10) [010] chains. A weak C—H⋯π interaction is also observed.
doi:10.1107/S1600536812051380
PMCID: PMC3569229
PMID: 23424452
In the title compound, C17H15N3O4, the molecule is in the keto–hydrazone form. Intramolecular N—H⋯O hydrogen bonds ensure that the molecule is nearly planar (r.m.s. deviation of non-H atoms is 0.098 Å), with the two benzene rings forming a dihedral angle of 10.04 (2)°. In the crystal, inversion dimers are formed via pairs of O—H⋯O hydrogen bonds involving the –CO2H groups.
doi:10.1107/S1600536811048173
PMCID: PMC3239046
PMID: 22199894
The complete molecule of the title compound, [Cd(C6H12NOS2)2(C12H10N4)2], is generated by crystallographic inversion symmetry. The distorted octahedral trans-N2S4 donor set for the Cd2+ ion is defined by two symmetrically S,S′-chelating dithiocarbamate anions and two pyridine N atoms derived from two monodentate 4-pyridinealdazine (or 4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine) molecules [dihedral angle between the aromatic rings = 17.33 (8)°]. In the crystal, molecules are connected into a supramolecular chain via O—H⋯N hydrogen bonds involving the 4-pyridinealdazine N atoms not involved in coordination to cadmium. Weak C—H⋯O and C—H⋯N links consolidate the packing.
doi:10.1107/S1600536811004508
PMCID: PMC3052135
PMID: 21522253
The 30 non-H atoms in title dihydrazine compound, C20H16N6O4·2H2O, are close to coplanar, the r.m.s. deviation for these atoms being 0.096 Å. The conformation about each of the C=N bonds is E, and the molecule has non-crystallographic 2/m symmetry. The presence of O—H⋯O and N—H⋯O hydrogen bonding leads to a three-dimensional network in the crystal structure. A highly disordered solvent molecule is present within a molecular cavity defined by the organic and water molecules. Its contribution to the electron density was removed from the observed data in the final cycles of refinement and the formula, molecular weight and density are given without taking into account the contribution of the solvent molecule.
doi:10.1107/S1600536809053963
PMCID: PMC2980149
PMID: 21580076
In the title compound, C24H18ClN3O2S, the dihedral angle between the benzene ring and the anthracene ring system is 41.10 (8)°. The thiazine ring has a half-chair conformation and the Cl atom is in an axial orientation. In the crystal, molecules are linked by C—H⋯O interactions, generating C(8) chains along [100]. A C—H⋯N short contact occurs in the molecule, generating an S(6) ring.
doi:10.1107/S1600536812021642
PMCID: PMC3379367
PMID: 22719565
The asymmetric unit of the title compound, C12H12F2N2O3, contains two molecules, both of which exist in an E conformation with respect to their C=N bonds [1.321 (6) and 1.310 (6) Å]. The molecular conformations are supported by intramolecular N—H⋯O hydrogen bonds, which generate S(6) rings. In the crystal, molecules are linked by C—H⋯O and C—H⋯F hydrogen bonds into layers lying parallel to (001). The crystal studied was an inversion twin with a 0.58 (1):0.42 (1) domain ratio.
doi:10.1107/S1600536812000803
PMCID: PMC3275180
PMID: 22347036
The molecule of the title Schiff base compound, C15H14N2O5, was obtained from a condensation reaction of 4-acetoxy-3-methoxybenzaldehyde and 2-furylcarbonylhydrazide. In the molecule, the furyl ring makes a dihedral angle of 14.63 (10)° with the benzene ring. In the crystal, intermolecular N—H⋯O hydrogen bonds link the molecules into chains along the b axis. Futhermore, weak C—H⋯O interactions connect the chains, forming corrugated layers parallel to (001). The dihedral angle between the rings is 14.63 (10)°.
doi:10.1107/S1600536811008932
PMCID: PMC3099912
PMID: 21754157
The molecule of the title Schiff base compound, C16H15N3O5, obtained from a condensation reaction of 4-acetoxy-3-methoxybenzaldehyde and 4-nitrophenylhydrazine, adopts an E geometry with respect to the C=N double bond. The molecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, intermolecular N—H⋯O hydrogen bonds link centrosymmetrically related pairs of molecules, forming dimers of R
2
2(22) graph-set motif. The dimers are further connected through slipped π–π interactions between symmetry-related benzene rings [centroid–centroid distance of 3.646 (1) Å, offset angle of 15.4°].
doi:10.1107/S160053681003802X
PMCID: PMC2983317
PMID: 21587632
The title compound, C19H15ClN6O3S, exists in trans and cis configurations with respect to the acyclic C=N bonds. The 3,6-dihydro-2H-1,3,4-thiadiazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.013 (1) Å] and forms dihedral angles of 34.76 (4) and 48.67 (4)° with the benzene rings. An intramolecular C—H⋯O hydrogen bond stabilizes the molecular structure and forms an S(6) ring motif. In the crystal packing, intermolecular N—H⋯N hydrogen bonds link centrosymmetrically related molecules into dimers, generating R
2
2(8) ring motifs. The dimers are then linked into a three-dimensional network by intermolecular C—H⋯O and C—H⋯Cl hydrogen bonds, and by C—H⋯π interactions. Further stabilization is provided by π–π interactions involving the sydnone rings, with centroid–centroid separations of 3.4198 (5) Å.
doi:10.1107/S1600536811013900
PMCID: PMC3089192
PMID: 21754480
The title compound, C18H13ClN6O2S, exists in trans and cis configurations with respect to the acyclic C=N bonds [C=N = 1.2837 (15) and 1.3000 (14) Å, respectively]. The 3,6-dihydro-2H-1,3,4-thiadiazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.002 (1) Å] and forms dihedral angles of 50.45 (7) and 61.21 (6)° with the aromatic rings. In the crystal, intermolecular N—H⋯N, C—H⋯Cl and C—H⋯S hydrogen bonds link the molecules into layers parallel to ab plane. The crystal packing is stabilized by C—H⋯π interactions and further consolidated by π–π interactions involving the phenyl rings [centroid–centroid distance = 3.6306 (7) Å].
doi:10.1107/S1600536811013912
PMCID: PMC3089094
PMID: 21754481
In the title compound, C16H13Cl2N3O2S, the dihedral angle between the aromatic rings is 6.62 (2)° and the C=N—N=C torsion angle is 176.2 (4)°. The thiazine ring shows an envelope conformation, with the S atom displaced by 0.633 (6) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.037 Å). The Cl atom is an an axial conformation and is displaced by 2.015 (6) Å from the thiazine ring plane. In the crystal, molecules are linked by C—H⋯O interactions, generating a three-dimensional network. Very weak aromatic π–π stacking interactions [centroid–centroid separations = 3.928 (2) Å] are also observed.
doi:10.1107/S1600536813004443
PMCID: PMC3588526
PMID: 23476596
The chiral title compound, C21H20N4O2, crystallizes as a racemic mixture. In the crystal, molecules form centrosymmetric π-overlapping dimers [interplanar distance = 3.338 (6) Å], which are further connected along the a axis forming centrosymmetric dimers via O—H⋯N hydrogen bonds. C—H⋯O interactions are also observed. The indolo[2,1-b]quinazoline group is somewhat bent, with a small dihedral angle of 6.3 (4)° between the plane of the quinazoline system and the plane of the benzene ring of the indole moiety. The C=N—N=C atoms of the azine group is oriented almost perpendicular [84.1 (2)°] to the mean plane of the quinazoline system.
doi:10.1107/S1600536811037408
PMCID: PMC3201358
PMID: 22065467
In the title compound, C19H21N3O2S, the dihedral angle between the aromatic rings is 6.7 (2)° and the C=N—N=C torsion angle is 178.0 (2)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.802 (2) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.022 Å). In the crystal, molecules are linked by C—H⋯O interactions, generating C(5) chains propagating in [010]. A weak C—H⋯π interaction is also observed.
doi:10.1107/S1600536813000202
PMCID: PMC3569261
PMID: 23424484
In the title compound, C23H18N2O3, the interplanar angle between the benzoyl units is 80.51 (6)° while the dihedral angles between the hydrazinylidene and benzoyl groups are 43.43 (6) and 54.16 (6)°. In the crystal, a strong resonance-assisted intramolecular N—H⋯O hydrogen bond is observed. The molecules form an inversion dimer via a pair of weak C—H⋯O hydrogen bonds and a π–π interaction [centroid–centroid distance of 3.5719 (10) Å]. These dimers are linked via weak C—H⋯O contacts, forming chains along the b axis.
doi:10.1107/S1600536811027590
PMCID: PMC3213496
PMID: 22091075
The title compound, C13H16N2O4, is approximately planar (r.m.s. deviation = 0.065 Å for the 19 non-H atoms). An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif and the molecule adopts an E conformation with respect to the central C=N double bond. In the crystal, pairs of intermolecular C—H⋯O hydrogen bonds link adjacent molecules into inversion dimers. The crystal structure also features weak C—H⋯π interactions.
doi:10.1107/S1600536811039444
PMCID: PMC3201266
PMID: 22065239
In the title compound, C16H14ClN3O3S, the thiazine ring adopts a sofa (half-chair) conformation, with an r.m.s. deviation from the mean plane of 0.23 Å. The S atom and S-bonded C atom exhibit the maximum deviations from the thiazine mean plane [−0.3976 (12) and 0.3179 (14) Å, respectively]. The conformations around the double bonds in the R
2C=N—N=CHR unit are Z and E. An intramolecular O—H⋯N hydrogen bond with the hydroxy group as donor generates an S(6) ring motif. In the crystal, pairs of weak C—H⋯O interactions connect the molecules, forming inversion dimers.
doi:10.1107/S1600536811055978
PMCID: PMC3275000
PMID: 22346945
In the title compound, C13H16N2O4, an intramolecular N—H⋯O hydrogen bond generates an S(6) ring. The molecule adopts an E configuration with respect to the central C=N double bond. In the crystal, symmetry-related molecules are connected into chains along [010] via weak C—H⋯N hydrogen bonds. The crystal structure is further stabilized by weak C—H⋯π interactions.
doi:10.1107/S1600536811034854
PMCID: PMC3201242
PMID: 22058737
In the title Schiff base molecule, C13H11ClN2O, the non-H atoms are approximately coplanar (r.m.s. deviation = 0.115 Å) and the two benzene rings are twisted by 9.36 (3)° with respect to each other. The hydroxy group is hydrogen bonded to the azomethine N atom. In the crystal, an N—H⋯π interaction is observed between the imino group and the hydroxybenzene ring of an adjacent molecule.
doi:10.1107/S1600536811017958
PMCID: PMC3120323
PMID: 21754826
In the title compound, C11H9F2N5OS, the pyrazole ring forms a dihedral angle of 16.42 (6)° with the benzene ring. Intramolecular N—H⋯O hydrogen bonds generate two S(6) ring motifs. In the crystal, an R
2
2(8) ring motif is formed by a pair of intermolecular N—H⋯S hydrogen bonds. Intermolecular C—H⋯F hydrogen bonds further link the molecules into a three-dimensional network.
doi:10.1107/S1600536811044576
PMCID: PMC3247501
PMID: 22220119
In the title compound, C11H10BrN5OS, the approximately planar pyrazole ring [maximum deviation = 0.014 (2) Å] forms a dihedral angle of 5.49 (13)° with the benzene ring. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked through intermolecular N—H⋯S and N—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (100). A short Br⋯Br contact of 3.5114 (6) Å is also observed.
doi:10.1107/S1600536811034726
PMCID: PMC3201347
PMID: 22064818
In the title molecule, C9H10BrN3O2S, the thiazine ring has an envelope conformation with the S atom at the flap. The geometry around the S atom is distorted tetrahedral. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds occur, generating R
2
2(6) ring motifs. N—H⋯O hydrogen bonds and C—H⋯O interactions connect the dimers, forming a three-dimentional network structure.
doi:10.1107/S1600536811027930
PMCID: PMC3213521
PMID: 22091100