29 research outputs found
(1E,2E)-1,2-Bis[1-(3-nitrophenyl)ethylidene]hydrazine
The asymmetric unit of the title compound, C16H14N4O4, contains one half-molecule of (nitrophenyl)ethanimine and the complete molecule is generated by a crystallographic inversion centre. The molecule has an E conformation with respect to each C=N double bond. The central C=N—N=C plane is twisted from the benzene rings with a dihedral angle of 24.76 (11)°. In the crystal, C—H⋯O interactions link the molecules to form sheets that lie parallel to (10-4)
4-(o-Tolyl)piperazin-1-ium chloride
In the title molecular salt, C11H17N2
+·Cl−, the piperazin-1-ium ring adopts a chair conformation with the aromatic ring in a pseudo-equatorial orientation. The dihedral angle between the benzene ring and the mean plane of the piperazin-1-ium ring is 51.22 (6)°. In the crystal, N—H⋯Cl hydrogen bonds link the molecules into chains propagating in [100]. Weak C—H⋯π interactions also ocur
3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1H-pyrazole-1-carbothioamide
In the title compound, C11H11N5OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothioamide groups are 5.42 (9) and 10.61 (18)°, respectively. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are connected by intermolecular N—H⋯O and C—H⋯S hydrogen bonds, forming R
2
2(12) ring motifs. In addition, there is a π–π stacking interaction [centroid–centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These interactions link the molecules into infinite chains along [001]
2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate
In the title compound, C23H15BrO3, the anthracene ring system is essentially planar [maximum deviation = 0.29 (2) Å] and makes a dihedral angle of 5.74 (8)° with the mean plane of the bromo-substituted benzene ring. An intramolecular C—H⋯O hydrogen bond generates an S(9) ring motif. In the crystal, molecules are linked by C—H⋯O interactions, forming a two-dimensional network parallel to the ac plane. π–π stacking interactions are observed between benzene rings [centroid–centroid distances = 3.5949 (14) and 3.5960 (13) Å]
6α-Hydroxy-5,6-dihydrosalviasperanol
In the title compound, C20H28O4, a diterpenoid isolated from the roots of Premna obtusifolia (Verbenaceae), the five-membered ring is in a half-chair conformation. One six-membered ring exists in a twisted-boat conformation while the other is in half-boat conformation. The crystal packing is stabilized by intermolecular O—H⋯O and weak C—H⋯O interactions, generating (001) sheets
4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile
In the title benzonitrile compound, C12H11F3N2O, an intramolecular C—H⋯F hydrogen bond generates an S(7) ring motif. The trifluoromethyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, molecules are connected by intermolecular C—H⋯F and C—H⋯O interactions to form R
2
2(8) ring motifs. These interactions also link the molecules into chains parallel to the [10] direction
(E)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl) prop-2-en-1-one
In the title compound, C21H24O3, the enone moiety adopts an
s-cis conformation and the dihedral angle between the
benzene rings is 12.89 (6)�. The hexyloxy tail adopts an
extended conformation. In the crystal, inversion dimers are
linked by pairs of O—H� � �O hydrogen bonds and pairs of C—
H� � �O interactions, forming two R2
2(7) and one R2
2(10) loops.
The dimers are then arranged into sheets lying parallel to
(201) and weak C—H� � �� interactions consolidate the
packing
Ethyl 2-[2-(3-methoxyphenyl)hydrazinylidene]-3-oxobutanoate
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
7-(4-Chlorobenzylidene)-3-[(4-chlorophenoxy)methyl]-6-(4-nitrothiophen-2-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
In the title compound, C22H13Cl2N5O3S2, the thiadiazine ring adopts a half-chair conformation. The benzene rings of the chlorophenoxy and chlorobenzyl groups and the thiophene ring form dihedral angles of 35.6 (1), 80.7 (1) and 14.2 (1)°, respectively, with the triazole ring. In the crystal, molecules are connected into sheets parallel to (11) by intermolecular C—H⋯N and C—H⋯Cl hydrogen bonds. In addition, π–π stacking interactions are observed between thiophene and triazole rings, and between inversion-related triazole rings [centroid–centroid distances = 3.5975 (11) and 3.4324 (11) Å]
4-[(2,4-Difluorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
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