2-Nitro-N-(8-quinolyl)benzamide.
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ABSTRACT:
SUBMITTER: Lei G
PROVIDER: S-EPMC2959943 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:The title compound, C(13)H(9)N(3)O(5), prepared as a solid derivative of 3-nitro-analine via reaction with 4-nitro-benzoyl chloride, crystallizes in a chiral space group. The mol-ecule is non-planar with a dihedral angle of 26.1?(1)° between the two benzene rings. Both nitro groups are twisted slightly out of the plane of their corresponding benzene rings, making dihedral angles of 10.7?(4) and 13.5?(4)°. The mol-ecules are stacked along the a axis with benzene ring centroid-centroid distances of 3.8878?(6)?Å. In the crystal, inter-molecular benzene C-H?O inter-actions involving one nitro group and the carbonyl group link the mol-ecules, forming chains along [001]. An additional set of aromatic C-H?O inter-actions with the second nitro group form chains along [101], connecting adjacent chains to create layers perpendicular to the b axis.
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Project description:The central acetyl-acetamide moiety in the title compound, C(14)H(9)N(3)O(6), is buckled [e.g. the C-N-C-O torsion angle is 14.3?(6)°] but the r.m.s. deviation for the five atoms is 0.044?Å. The benzene rings lie on the same side of the central plane, forming dihedral angles of 37.17?(15) and 28.58?(19)° with it. The dihedral angle between the two rings is 17.8?(2)° indicating that the mol-ecule is curved. The carbonyl groups are syn to each other and anti to the amino H atom. This allows for the formation of N-H?O hydrogen bonds in the crystal, which leads to twisted chains along the b axis. Positional disorder (50:50) of the O atoms was modelled for both the nitro groups.
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Project description:In the crystal of the title compound, C(7)H(5)ClN(2)O(3), the molecules are linked by N-H⋯O and C-H⋯O hydrogen bonds. The π-π contact between the benzene rings, [centroid-centroid distance = 3.803 (3) Å] may further stabilize the structure.
| S-EPMC2967989 | biostudies-literature
Project description:In the title compound, C(13)H(10)N(2)O(3), the central C-C(=O)-N-C amide unit makes dihedral angles of 21.68?(4) and 19.08?(4)°, respectively, with the phenyl and nitro-benzene rings. The two aromatic rings are inclined at 3.74?(3)° and the nitro group is skewed out of the attached benzene ring plane by 18.55?(8)°. An intra-molecular N-H?O inter-action to an O atom of the nitro substituent generates an S(6) ring motif. In the crystal, C-H?O contacts generate two centrosymmetric ring systems with R(2) (2)(14) and R(2) (2)(20) graph-set motifs, forming zigzag chains down the a axis. ?-? inter-actions between adjacent phenyl and nitro-benzene rings [centroid-centroid distance = 3.6849?(6)?Å] also form centrosymmetric dimers. These and an additional C-H?O hydrogen bond generate an extensive three-dimensional network structure.
| S-EPMC2977104 | biostudies-literature
Project description:The asymmetric unit of title compound, C(7)H(6)N(2)O(4), contains two mol-ecules, one of which has a disordered nitro group with an occupancy ratio of 0.517?(9):0.483?(9) for the O atoms. Both mol-ecules contain an intra-molecular O-H?O hydrogen bond. In the crystal, both mol-ecules form inversion dimers linked by pairs of N-H?O hydrogen bonds, resulting in R(2) (2)(8) ring motifs. The dimers are connected by further N-H?O links and weak C-H?O inter-actions, resulting in a layered motif.
| S-EPMC2969278 | biostudies-literature
Project description:In the title compound, C(13)H(8)ClN(3)O(5), the dihedral angle between the two aromatic rings is 70.74?(6)°. The nitro groups of the Cl-substituted and benzamide benzene rings are twisted by 2.6?(1) and 31.3?(2)°, respectively. The crystal packing shows inter-molecular C-H?O hydrogen bonds that link mol-ecules into sheets stacked along [010].
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Project description:The title compound, C(19)H(14)N(2)O(4), crystallizes with two molecules with very similar conformations in the asymmetric unit; the angles between the two ring systems are 8.7 (1) and 4.2 (1)°. In the crystal, inter-molecular π-π inter-actions [centroid-centroid distance 3.973 (1) Å] lead to a three-dimensional network.
| S-EPMC2970963 | biostudies-literature
Project description:In the title compound, C13H9N3O5, the mean plane of the non-H atoms of the central amide fragment C-N-C(=O)-C [r.m.s. deviation = 0.0442?Å] forms dihedral angles of 71.76?(6) and 24.29?(10)° with the C-bonded and N-bonded benzene rings, respectively. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds forming C(4) chains along [100]. Weak C-H?O contacts link the mol-ecules into (100) sheets containing edge-fused R 4 (4)(30) rings. Together, the N-H?O and C-H?O hydrogen bonds generate a three-dimensional network.
| S-EPMC4459296 | biostudies-literature
Project description:The title compound, C(19)H(26)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit which differ in the twist of the phenyl rings with respect to the plane of the amide group [the C-C-C-O torsion angles are 121.5?(3) and -119.6?(3)° in the two mol-ecules. Both cyclo-hexane rings adopt chair conformations. In the crystal, weak C-H?O inter-actions occur. The crystal studied was a non-merohedral twin with a minor component of 4.8?(1)%.
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Project description:In the title compound, C(11)H(14)N(2)O(3), the bond lengths and angles are within normal ranges. Weak inter-molecular N-H?O inter-actions link the mol-ecules into chains along the a axis. A non-classical intra-molecular C-H?O inter-action (nitro O atom and a H atom of the nearest methyl group) is found, forming a six-membered ring with a twisted conformation. This six-membered ring has a twisted conformation.
| S-EPMC2970120 | biostudies-literature