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3-Fluoro-N-(3-fluorobenzoyl)-N-(2-pyridyl)benzamide  [cached]
John F. Gallagher,Katie Donnelly,Alan J. Lough
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536808041093
Abstract: The title compound, C19H12F2N2O2, a 2:1 product of the reaction of 3-fluorobenzoylchloride and 2-aminopyridine crystallizes with a disordered 3-fluorobenzene ring adopting two conformations [ratio of occupancies 0.959 (4):0.041 (4)]. In the crystal structure, there are no classical hydrogen bonds and interactions comprise C—H...O in the form 2(C—H)...O=C [with motif R21(5)]; C—H...π(arene) interactions are also present.
N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphthyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
Emmanuel S. Akinboye,Ray J. Butcher,Dwayne A. Wright,Yakini Brandy
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809000117
Abstract: In the title compound, C24H12BrF2NO4, synthesized from 2-amino-3-bromo-1,4-naphthoquinone and 4-fluorobenzoyl chloride, the two p-fluorophenyl rings are inclined at 73.9 (1) and 73.6 (1)° to the naphthoquinone ring system. The two imido carbonyl O atoms are anti to each other, while the fluorophenyl rings are located opposite each other, connected to the imide group in a funnel-like arrangement. This conformation allows the fluorine groups be oriented slightly away from each other. An examination of the packing shows a close intermolecular F...O contact of 2.982 (5) and a Br...O contact of 2.977 (4) . In addition, the molecules are linked by weak intermolecular C—H...O and C—H...F interactions.
Bis{2-hydroxy-N-[2-(2-pyridyl)ethyl]benzamide}copper(I) tetrafluoridoborate  [cached]
Zhaodong Wang,Douglas R. Powell,Robert P. Houser
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810001364
Abstract: The title complex, [Cu(C14H14N2O2)2]BF4, is a monomeric copper(I) species with linear two-coordinate geometry around the CuI atom. The asymmetric unit contains two half-cations that sit on crystallographic twofold rotation axes. The selected crystal was non-merohedrally twinned by a twofold rotation about an axis normal to the (100) family of planes. The ratio of the twin components refined to 0.4123 (6). Two 2-hydroxy-N-[2-(2-pyridyl)ethyl]benzamide ligands coordinate to each CuI atom via the pyridyl N atom. Intramolecular hydrogen bonding between the phenol OH groups and the amide O atoms imparts rigidity and planarity to the non-coordinating end of the ligand. The cationic complex is linked to the BF4 anions via hydrogen bonding between the amide NH groups in the cations and BF4 anions.
2-Fluoro-N-(4-methoxyphenyl)benzamide
Aamer Saeed,Rasheed Ahmad Khera,Madiah Arfan,Jim Simpson
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809008927
Abstract: In the title compound, C14H12FNO2, the fluorobenzene and methoxybenzene rings are inclined at 27.06 (7) and 23.86 (7)°, respectively, to the amide portion of the molecule and at 3.46 (9)° to one another. The methoxy substituent lies close to the methoxybenzene ring plane, with a maximum deviation of 0.152 (3) for the methyl C atom. In the crystal structure, intermolecular N—H...O hydrogen bonds link molecules into rows along a. Weak C—H...O and C—H...F interactions further stabilize the packing, forming corrugated sheets in the bc plane.
2,3-Difluoro-N-(2-pyridyl)benzamide  [cached]
John F. Gallagher,Joyce McMahon,Frankie P. Anderson,Alan J. Lough
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808038269
Abstract: The title compound, C12H8F2N2O, crystallizes with two independent molecules in the asymmetric unit. The independent molecules differ slightly in conformation; the dihedral angles between the benzene and pyridine rings are 51.58 (5) and 49.97 (4)°. In the crystal structure, molecules aggregate via N—H...Npyridine interactions as hydrogen-bonded dimers with the structural motif R22(8), and these dimers are linked via C—H...O interactions to form a supramolecular chain.
2-Ferrocenyl-N-(6-methyl-2-pyridyl)benzamide  [cached]
John F. Gallagher,Steven Alley,Alan J. Lough
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810008342
Abstract: The title compound, [Fe(C5H5)(C18H15N2O)], a product of the reaction of 2-ferrocenylbenzoic acid and 2-amino-6-methylpyridine, crystallizes with two dissimilar molecules in the asymmetric unit. In one molecule, the picoline amide group is directed away from the 2-ferrocenylbenzene moiety (anti) whereas in the other, these are proximate (syn). In the crystal structure, molecules aggregate into dimers via cyclic, asymmetric N—H...N interactions with graph set R22(8), and are further augmented via intramolecular C—H...O=C and interdimer C—H...π(arene) interactions. Dimers are linked into chains along the [102] direction via weak C—H...O hydrogen bonds.
2-Iodo-N-(6-methyl-2-pyridyl)benzamide  [cached]
Hoong-Kun Fun,Reza Kia,Annada C. Maity,Sibaprasad Maity
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536808041950
Abstract: The asymmetric unit of the title compound, C13H11IN2O, comprises two crystallographically independent molecules. The dihedral angles between the ring planes are 53.56 (9) and 72.14 (19)° in the two molecules. Pairs of intermolecular N—H...N hydrogen bonds and I...O interactions link neighbouring molecules into two different pairs of dimers, those involving N—H...N interactions having R22(8) ring motifs. Short intermolecular I...O [3.1458 (15) ] and I...N [3.4834 (16) ] contacts are present. The crystal structure is further stabilized by intermolecular C—H...π interactions [3.565 (2) and 3.629 (2) ].
2-Ferrocenyl-N-(2-ferrocenylbenzoyl)-N-(4-methyl-2-pyridyl)benzamide  [cached]
John F. Gallagher,Steven Alley,Alan J. Lough
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809006278
Abstract: The title compound, [Fe2(C5H5)2(C30H22N2O2)], a 2:1 product of the reaction of 2-ferrocenylbenzoic acid and 2-amino-4-methylpyridine, forms a twisted molecular structure in the solid state due to steric effects from the two benzene rings ortho-substituted with ferrocenyl and carbonyl-derived groups. A short intramolecular C—H...π interaction is observed involving a substituted η5-C5H4 ring and an ortho H atom of the benzene ring on the opposite side of the molecule. In the crystal structure, there are no classical hydrogen bonds: interactions comprise a short C6—H...π(C6) interaction involving substituted benzene rings and two C—H...O=C interactions per molecule.
N-(1,10-Phenanthrolin-5-yl)-4-(2-pyridyl)benzamide monohydrate  [cached]
Masayuki Kobayashi,Shigeyuki Masaoka,Ken Sakai
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808029851
Abstract: In the title molecule, C24H16N4O·H2O, the benzene ring of the 1,10-phenanthroline group and that of the 2-phenylpyridine group are respectively twisted by 67.9 (1) and 15.3 (3)° from the carbamoyl group defined by the plane of the O=C—N group of atoms. The water molecule is hydrogen bonded to one of the phenanthroline N atoms. In the crystal structure, significant π–π stacking interactions occur, with centroid-to-centroid separations in the range 3.567–3.681 (2) .
4-Fluoro-N-[3-(2-fluorophenyl)-4-methyl-2,3-dihydro-2-thienylidene]benzamide  [cached]
Aamer Saeed,Uzma Shaheen,Muhammad Latif,Michael Bolte
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809022314
Abstract: In the title compound, C17H12F2N2OS, the planar thiazole ring (r.m.s. deviation = 0.012 ) makes dihedral angles of 15.08 (9) and 81.81 (6)° with the 4-fluorophenyl and 2-fluorophenyl rings, respectively. The 2-fluorophenyl ring is disordered over two orientations with site-occupancy factors of 0.810 (3) and 0.190 (3). The structure contains intermolecular C—H...O hydrogen bonds.
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