230 research outputs found
(3-Aminophenyl)methanol
In the title compound, C7H9NO, a derivative of benzyl alcohol, the endocyclic C—C—C angles are in the range 119.50 (12)–121.04 (12)°. In the crystal, molecules are linked by N—H⋯O hydrogen-bond interactions, forming an extended two-dimensional framework parallel to ab. O—H⋯N interactions are also observed
Pyridine-2,3-diamine
The molecule of the title pyridine derivative, C5H7N3, shows approximately non-crystallographic C
s symmetry. Intracyclic angles cover the range 117.50 (14)–123.03 (15)°. In the crystal, N—H⋯N hydrogen bonds connect molecules into a three-dimensional network. The closest intercentroid distance between two π-systems occurs with the c-axis repeat at 3.9064 (12) Å
4-((E)-{2-[N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carboximidoyl]benzylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
The title compound, C30H28N6O2, is a symmetric diimine derived from ortho-dibenzaldehyde. Both C=N bonds are (E)-configured. The terminal N-bonded phenyl groups adopt staggered conformations relative to their respective parent heterocycles, the relevant least-squares planes intersect at angles of 32.35 (11) and 38.59 (10)°. In the crystal, C—H⋯O contacts connect the molecules into chains along the b axis and give rise to a C
1
1(14)C
1
1(14) and a R
2
2(12) pattern on different levels of graph-set analysis. The shortest intercentroid distance between two centroids was found at 4.2074 (11) Å between the two five-membered heterocycles
Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions
The title compound, C30H25NOP2, is a bulky phosphazene derivative. Its previous crystal structure [Cameron et al. (1979 ▶). Acta Cryst. B35, 1373–1377] is confirmed and its H atoms have been located in the present study. The formal P=N double bond is about 0.05 Å shorter than the P—N single bond and the large P=N—P bond angle reflects the steric strain in the molecule. An intramolecular C—H⋯O interaction occurs. In the crystal, short C—H⋯O contacts connect the molecules into chains propagating in [011], which are cross-linked via C—H⋯π interactions, generating a three-dimensional network. Aromatic π–π stacking also occurs [shortest centroid–centroid separation = 3.6012 (11) Å]
A monoclinic polymorph of (1E,5E)-1,5-bis(2-hydroxybenzylidene)thiocarbonohydrazide
The title compound, C15H14N4O2S, is a derivative of thioureadihydrazide. In contrast to the previously reported polymorph (orthorhombic, space group Pbca, Z = 8), the current study revealed monoclinic symmetry (space group P21/n, Z = 4). The molecule shows non-crystallographic C
2 as well as approximate C
s symmetry. Intramolecular bifurcated O—H⋯(N,S) hydrogen bonds, are present. In the crystal, intermolecular N—H⋯S hydrogen bonds and C—H⋯π contacts connect the molecules into undulating chains along the b axis. The shortest centroid–centroid distance between two aromatic systems is 4.5285 (12) Å
2-Hydroxy-N-(2-hydroxyethyl)benzamide
In the title compound, C9H11NO3, a derivative of salicylamide, the intracyclic C—C—C angles span the range 117.96 (13)–121.56 (14)°. An intramolecular O—H⋯O hydrogen bond occurs. In the crystal, intermolecular O—H⋯O and N—H⋯O hydrogen bonds occur and C—H⋯O contacts connect the molecules into a three-dimensional network. The closest intercentroid distance between two π-systems is 3.8809 (10) Å
N,N′-Bis[(E)-2,4,6-trimethylbenzylidene]ethane-1,2-diamine
The title compound, C22H28N2, which is a double imine derived from ethane-1,2-diamine and mesityl aldehyde, has crystallographic inversion symmetry, with both C=N bonds E configured. The dihedral angle between the mesityl ring system and the imide functional group is 23.89 (17)°
(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone
The title compound, C14H12O4, is an asymmetric substitution product of benzophenone. Both hydroxy groups are orientated towards the O atom of the keto group. Intramolecular as well as intermolecular O—H⋯O hydrogen bonds can be observed in the crystal structure, with the latter connecting the molecules into chains along the crystallographic b axis. C—H⋯O contacts [C⋯O = 3.3297 (18) Å] are also apparent. The closest centroid–centroid distance between two aromatic systems is 4.9186 (9) Å
6-(2-Hydroxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-12-ium bromide ethanol solvate
In the title compound, C20H16N3O+·Br−·C2H6O, the phenol ring forms dihedral angles of 84.5 (1) and 89.3 (1)° with the benzimidazole system and the quinazoline benzene ring, respectively. The two N—H groups act as donors in hydrogen bonds with the bromide ion as acceptor, leading to infinite eight-membered chains along [100]. According to graph-set theory the descriptor on the binary level is C
2
1(8). O—H⋯O and O—H⋯Br hydrogen bonds also occur
3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1H-pyrazol-5(4H)-one
The title compound, C23H20N4O, is a heterocyclic phenylhydrazone Schiff base with a pyrazole moiety. In the crystal, a variety of interactions occur, including N—H⋯π and π–π stacking between the phenyl ring of the phenylhydrazinyl group and its symmetry-generated equivalent [centroid–centroid distance = 3.6512 (7) Å]
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