273 research outputs found
(E)-1-(2,5-Dichlorothiophen-3-yl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone
In the title compound, C16H10Cl2F3N3S, the dihedral angle between the quinoline and thiophene ring systems is 4.94 (10)°. The NH group of the hydrazone moiety does not form a hydrogen bond, due to a steric crowding. In the crystal, the thiophene ring takes part in weak π–π stacking interactions with the pyridine ring [centroid-to-centroid separation = 3.7553 (19) Å and interplanar angle = 5.48 (12)°] and the benzene ring [3.7927 (19) Å and 4.58 (12)°]. Together, these lead to [100] stacks of molecules in an alternating head-to-tail arrangement, with two π–π stacking contacts between each adjacent pair
Ethyl N-(2-benzoyl-4-chlorophenyl)ethanecarboximidate
In the title compound, C17H16ClNO2, the N=C—O—C—C fragment is planar within 0.029 (1) Å, and makes dihedral angles of 66.71 (8) and 59.61 (8)° with the planes of the chlorophenyl and benzoyl rings, respectively. The carbonyl C=O bond is not coplanar with either of the aromatic rings; it makes angles of 42.5 and 23.5° with the normals to the ring planes. In the crystal, very weak C—H⋯O, C—H⋯Cl, C—H⋯π and π–π [interplanar distance = 3.53 (1) Å] interactions are observed
Methyl 2,2-diphenyl-2-(prop-2-yn-1-yloxy)acetate
The molecular structure of the title compound, C18H16O3, exhibits a new R
2–C(COOMe)(OCH2CCH) group. The C—O—C—C torsion angle is 153.3 (1)°. The dihedral angles are 79.89 (5)° between phenyl/phenyl planes, and 73.13 (5) and 79.05 (8)° for the two COOMe/phenyl plane pairs
4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethylformamide monosolvate
In the molecule of deferasirox dimethylformamide solvate, C21H15N3O4·C3H7NO, the central 1,2,4-triazole ring is tilted with respect to the benzoic acid and one of the 2-hydroxyphenyl units but coplanar with the other 2-hydroxyphenyl group, as indicated by the dihedral angles of 33.69 (9), 72.57 (8) and 5.18 (9)°, respectively. Intramolecular O—H⋯N hydrogen bonds generate an S(6) ring motif. In the crystal, deferasirox molecules are linked by O—H⋯N hydrogen bonds and weak C—H⋯O interactions into chains along the c axis. The dimethylformamide solvent molecules are located between the deferasirox chains and are linked to the deferasirox molecules by O—H⋯O hydrogen bonds and weak C—H⋯O interactions
4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate
The title compound, C17H19F2N2
+·C7H5O3
−·C7H6O3, is a co-crystal from 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intramolecular O—H⋯O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H⋯O), as well as between the salicylic acid molecule and anion (O—H⋯O), giving rise to a three-dimensional network
4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium bis(trichloroacetate) 0.4-hydrate
The title compound, C17H20F2N22+·2C2Cl3O2−·0.4H2O, has twofold protonated N atoms. The trichloroacetate anions each show one disordered Cl atom with site occupation factors of 0.945 (7):0.055 (7) 0.945 (8):0.055 (8). In the crystal, N—H⋯O, O(water)—H⋯O and O(water)—H⋯F interactions connect the components into a three-dimensional network
4-(4-Chlorophenyl)-4-hydroxypiperidinium benzoate
In the title salt, C11H15ClNO+·C7H5O2
−, the dihedral angle between the mean planes of the chlorophenyl ring of the cation and the benzene ring of the anion is 74.4 (1)°. In the cation, the six-membered piperazine ring adopts a chair conformation. The crystal packing is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds, and weak intermolecular C—H⋯O, C—H⋯Cl and C—H⋯π interactions
N,N-Dimethyl-3-oxo-3-(thiophen-2-yl)propanaminium chloride
In the title molecular salt, C9H14NOS+·Cl−, the crystal packing is stabilized by weak intermolecular N—H⋯Cl, C—H⋯Cl and C—H⋯π interactions, which lead to the formation of a two-dimensional supramolecular layer which stacks along the b axis
Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C19H24N2
2+·2C6HCl2O4
−·0.5C6H2Cl2O4·CH3OH·H2O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid molecule is on an inversion symmetry element and its hydroxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent molecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O interactions link the components. The crystal structure also features π–π interactions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å]
Triprolidinium dipicrate
In the tripodinium cation of the title compound {systematic name: 2-[(E)-1-(4-methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-enyl]pyridinium bis(2,4,6-trinitrophenolate)}, C19H24N2
+·2C6H2N3O7
−, the N atoms on both the pyrrolidine and pyridinium groups are protonated. The pyrrolidine group adopts a slightly distorted envelope configuration. Strong N—H⋯O cation–anion hydrogen bonds and weak intermolecular N—H⋯O interactions link the dication and two anions. In both picrate anions, the nitro groups display rotational disorder over two orientations in a 0.605 (6):0.395 (6) ratio. The crystal packing also features weak intermolecular π–π [centroid–centroid distance = 3.8036 (14) Å] and C—H⋯O interactions
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