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N-(4-Chloro-2-nitro-phen-yl)-5-methyl-isoxazole-4-carboxamide.

ABSTRACT: In the title compound, C(11)H(8)ClN(3)O(4), the dihedral angle between benzene and isoxazole rings is 9.92 (1) °. The nitro group is almost coplanar with the benzene ring with an O-N-C-C torsion angle of 8.4 (3)°. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond, closing a six-membered ring.

SUBMITTER: Wang DC

PROVIDER: S-EPMC3238979 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(3-Chloro-phen-yl)-2-methyl-4-nitro-1H-imidazole-5-carboxamide.

Project description:In the crystal structure of the title compound, C(11)H(9)ClN(4)O(3), pairs of N-H?N(imidazole) hydrogen bonds connect the mol-ecules into centrosymmetric dimers, which are further connected by N-H?O(carbamo-yl) hydrogen bonds into C(4) chains along [010]. Inter-play of these two kinds of hydrogen bonds connect the mol-ecules into layers perpendicular to [101]. The imidazole [maximum deviation 0.0069?(9)?Å] and phenyl rings are inclined at a dihedral angle of 58.44?(6)°; the nitro group is almost coplanar [dihedral angle 5.8?(2)°] with the imidazole ring while the carbamoyl group is almost perpendicular [70.15?(13)°] to it.

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5-Methyl-N-[2-(trifluoro-meth-yl)phen-yl]isoxazole-4-carboxamide.

Project description:In the title compound, C(12)H(9)F(3)N(2)O(2), the benzene ring is nearly perpendicular to the isoxazole ring, making a dihedral angle of 82.97?(2)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into a supra-molecular chain running along the c axis.

| S-EPMC3344567 | biostudies-literature

N-(4-Chloro-phen-yl)-4-methyl-piperidine-1-carboxamide.

Project description:In the title compound, C(13)H(17)ClN(2)O, the piperidine ring adopts a chair conformation and the N atom in that ring is close to pyramidal (bond angle sum = 357.5°). In the crystal, mol-ecules are linked into C(4) chains propagating in [010] by N-H?O hydrogen bonds.

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N-(4-Chloro-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

Project description:The title compound, C(9)H(9)ClN(2)O(5)S, is of inter-est as a precursor to biologically active substituted quinolines and related compounds. The structure displays inter-molecular C-H?O inter-actions. Each mol-ecule is linked to two adjacent neighbours via weak centrosymmetric dimer-forming inter-actions, forming chains in the [101] direction.

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4-(4-Chloro-phen-yl)-5-phenyl-isoxazole.

Project description:The title compound, C(15)H(10)ClNO, is a functionalized isoxazole with a chloro-phenyl and a phenyl substitutent. The mean plane of the isoxazole ring is inclined to those of the two benzene ring mean planes by 38.32?(16) and 43.91?(18)°.

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Crystal structures of methyl (E)-3-(2-chloro-phen-yl)-2-({2-[(E)-2-nitro-vin-yl]phen-oxy}meth-yl)acrylate and methyl (E)-2-({4-chloro-2-[(E)-2-nitro-vin-yl]phen-oxy}meth-yl)-3-(2-chloro-phen-yl)acrylate.

Project description:The title compounds, C19H16ClNO5, (I), and C19H15Cl2NO5, (II), both crystallize in the monoclinic space group P21/n. They differ essentially in the orientation of the methyl acetate group, with the C=O bond directed towards the NO2 group in (I) but away from it in (II). In compound (I), the mean plane of the methyl acrylate unit is planar, with a maximum deviation of 0.0044 (2) Å for the methyl C atom, while in (II) this deviation is 0.0147 Å. The inter-planar angles between the two aromatic rings are 74.87 (9) and 75.65 (2)° for compounds (I) and (II), respectively. In both compounds, the methyl acrylate and nitro-vinyl groups each adopt an E conformation about the C=C bond. In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds forming chains along the b axis. The chains are linked via C-H⋯Cl hydrogen bonds, forming sheets parallel to the ab plane. The sheets are linked via C-H⋯π inter-actions, forming a three-dimensional structure. In the crystal of (II), mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(30) ring motif. The dimers are linked via C-H⋯O hydrogen bonds, forming sheets parallel to the ac plane and enclosing R 4 (4)(28) ring motifs. The sheets are linked via parallel slipped π-π inter-actions (inter-centroid distances are both ca 3.86 Å), forming a three-dimensional structure.

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5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-N-(3-pyridylmeth-yl)-1H-pyrazole-3-carboxamide.

Project description:In the title compound, C(23)H(17)Cl(3)N(4)O, the benzene rings are oriented with respect to the pyrazole ring at dihedral angles of 39.9?(2) and 72.90?(13)° for the chloro-phenyl and di-chloro-phenyl rings, respectively. Inter-molecular C-H?N and C-H?Cl inter-actions are observed in the crystal packing.

| S-EPMC2977756 | biostudies-literature

N-(2-Nitro-phen-yl)furan-2-carboxamide.

Project description:In the title furan-carboxamide derivative, C11H8N2O4, the benzene and furan rings are rotated from the mean plane of the central fragment by 2.68?(5) and 7.03?(4)°, respectively. The nitro group forms a dihedral angle of 10.15?(5)° with the adjacent benzene ring. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming helical chains running along [010].

| S-EPMC3790447 | biostudies-literature

N-(4-Chloro-phen-yl)morpholine-4-carboxamide.

Project description:In the title mol-ecule, C(11)H(13)ClN(2)O(2), the morpholine ring has a chair conformation. In the crystal, mol-ecules are linked into chains along [100] by N-H?O hydrogen bonds.

| S-EPMC3200746 | biostudies-literature

5-Methyl-N-(1,3-thia-zol-2-yl)isoxazole-4-carboxamide.

Project description:In the title compound, C8H7N3O2S, the dihedral angle between the thia-zol and isoxazole rings is 34.08 (13)°. In the crystal, the mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers, and C-H⋯O inter-actions, resulting in chains along the b-axis direction.

| S-EPMC3684936 | biostudies-literature

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