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N-{4-[(5-Methyl-isoxazol-3-yl)sulfamo-yl]phen-yl}benzamide.

ABSTRACT: In the title compound, C(17)H(15)N(3)O(4)S, the five-membered isoxazole ring makes dihedral angles of 80.5?(2) and 81.3?(2)° with the two benzene rings, which form a dihedral angle of 39.81?(18)° with each other. A short intra-molecular C-H?O contact occurs. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds, which generate [001] chains, and further consolidated by weak C-H?O inter-actions.

SUBMITTER: Yasmeen S

PROVIDER: S-EPMC3007873 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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N-{4-[(5-Methyl-isoxazol-3-yl)sulfamo-yl]phen-yl}benzamide.

Yasmeen Sumera S Murtaza Shahzad S Akkurt Mehmet M Khan Islam Ullah IU Sharif Shahzad S

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

In the title compound, C(17)H(15)N(3)O(4)S, the five-membered isoxazole ring makes dihedral angles of 80.5 (2) and 81.3 (2)° with the two benzene rings, which form a dihedral angle of 39.81 (18)° with each other. A short intra-molecular C-H⋯O contact occurs. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds, which generate [001] chains, and further consolidated by weak C-H⋯O inter-actions. ...[more]

PMID: 21588623

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N-{4-[(3-Methyl-phen-yl)sulfamo-yl]phen-yl}benzamide.

Project description:In the title compound, C(20)H(18)N(2)O(3)S, the dihedral angle between the central benzene ring and the amide group is 24.1?(3)° and that between this ring and the aromatic ring of the tolyl group is 68.2?(16)°. In the crystal, adjacent mol-ecules are linked by N-H?O hydrogen bonds into a linear chain running along [100]. Weak C-H?O contacts also occur. Extensive weak ?-? inter-actions exist from both face-to-face and face-to-edge inter-actions occur between the aromatic rings [centroid-centroid distances = 3.612?(2) and 4.843?(2)?Å].

| S-EPMC3247601 | biostudies-literature

N-{4-[(4-Methyl-phen-yl)sulfamo-yl]phen-yl}acetamide.

Project description:The title mol-ecule, C(15)H(16)N(2)O(3)S, has a twisted U-shaped conformation. The twist occurs in the central C-S(=O)(2)N(H)-C unit with the C-S-N-C torsion angle being -58.38?(14)°. The benzene rings lie to the same side of the mol-ecule and form a dihedral angle of 67.03?(10)°. The crystal packing features N-H?O hydrogen bonding, which leads to supra-molecular chains with a tubular topology along the b axis. Intra-molecular C-H?O inter-actions are also observed.

| S-EPMC3007302 | biostudies-literature

4-Hy-droxy-3,5-dimeth-oxy-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamo-yl]phen-yl}benzamide methanol monosolvate.

Project description:The title compound, C(19)H(19)N(3)O(7)S·CH(3)OH, was synthesized from syringic acid and sulfamethoxazole. The benzene rings make a dihedral angle of 41.8?(1)° and the isoxazole ring is twisted by 74.3?(1)° from the central benzene ring. The crystal packing features O-H?O and O-H?N hydrogen bonds in which the hy-droxy groups from the main mol-ecule and methanol solvent mol-ecules serve as donor groups.

| S-EPMC3275057 | biostudies-literature

4-Bromo-2-((E)-{4-[(3,4-dimethyl-isoxazol-5-yl)sulfamo-yl]phen-yl}iminio-meth-yl)phenolate.

Project description:The title compound, C(18)H(16)BrN(3)O(4)S, is a Schiff base ligand of 5-bromo-salicylaldehyde and sulfisoxazole [or N-(3,4-dimethyl-5-isoxazol)sulfanilamide]. The present structure is a zwitterion and is a more precise reinterpretation of the structure which was originally reported by Hämäläinen, Lehtinen & Turpeinen [Arch. Pharm. (1986), 319, 415-420]. The two aromatic rings which make π-π inter-actions [centroid-centroid distance 3.7538 (18) Å] through intermolecular interactions. There is also a C-Br⋯π inter-action [3.6333 (15) Å] with the heterocyclic ring. An intra-molecular N-H⋯O hydrogen bond also exists. Dimers are formed due to inter-molecular N-H⋯O hydrogen bonding. Inter-molecular C-H⋯O hydrogen bonding links a methyl C atom and the phenolate O atom. The dimers are linked by C-H⋯N hydrogen bonds, where the C atom is from the Schiff base group and the N atom is of five-membered heterocyclic ring.

| S-EPMC2960962 | biostudies-literature

4-Chloro-2-[(E)-({4-[N-(3,4-dimethyl-isoxazol-5-yl)sulfamo-yl]phen-yl}iminio)meth-yl]phenolate.

Project description:The title compound, C(18)H(16)ClN(3)O(4)S, is a Schiff base ligand in which the H atom of the hydr-oxy group has moved to the N atom of the imine group, resulting in a zwitterion. The structure is stabilized by an intra-molecular (N-H?O) and five inter-molecular (C-H?O, C-H?N and N-H?O) hydrogen bonds. The mol-ecules are linked to each other by hydrogen bonds and form a three-dimensional polymeric network. In addition, the aromatic rings are also involved in ?-? inter-actions [centroid-centroid distance between aromatic rings = 3.7525?(11)?Å].

| S-EPMC2960758 | biostudies-literature

N-(4-Methyl-phen-yl)benzamide.

Project description:The structure of the title compound, C(14)H(13)NO, resembles those of N-(2-chloro-phen-yl)benzamide, 2-chloro-N-phenyl-benzamide, N-(2,3-dichloro-phen-yl)benzamide, N-(3,4-dichloro-phen-yl)benzamide and 2-chloro-N-(2-chloro-phen-yl)benzamide with similar bond parameters. The benzene and methylphenyl rings have a dihedral angle of 63.41?(5)°, while the amide group makes a dihedral angle of 20.5?(1)° with the benzene ring. The mol-ecules are linked into chains in the b-axis direction by N-H?O hydrogen bonds.

| S-EPMC2915039 | biostudies-literature

N-(3-Methyl-phen-yl)benzamide.

Project description:The asymmetric unit of the title compound, C(14)H(13)NO, contains four mol-ecules, which are linked through N-H?O hydrogen bonds into two symmetry-independent chains running parallel to [001] and [101]. The N-H and C=O bonds of the amide groups are trans oriented in all four mol-ecules. The mol-ecules are not planar and both aromatic rings are twisted strongly relative to the plane of the amide group. The dihedral angle between the two benzene rings ranges from 70.6?(2) to 74.2?(2)°. The N-H bond is anti to the meta-methyl substituent in the aniline fragment in three of the four symmetry-independent mol-ecules. In the fourth mol-ecule, the aniline unit is disordered over two nearly coplanar positions; the anti and syn conformers occupy the same site in the crystal with equal probability.

| S-EPMC2959694 | biostudies-literature

2-Methyl-N-(3-methyl-phen-yl)benzamide.

Project description:In the structure of the title compound (N3MP2MBA), C(15)H(15)NO, the conformation of the N-H bond is anti to the meta-methyl substituent in the aniline ring and that of the C=O bond is syn to the ortho-methyl substituent in the benzoyl ring, while the conformations of the N-H and C=O bonds are anti to each other. The bond parameters in N3MP2MBA are similar to those in 2-methyl-N-phenyl-benzamide, N-(3,4-dimethyl-phen-yl)benzamide and other benzanilides. The amide group, -NHCO-, makes a dihedral angle of 55.2?(7)° with the benzoyl ring, while the dihedral angle between the two benzene rings (benzoyl and aniline) is 36.2?(1)°. N-H?O hydrogen bonds give rise to infinite chains running along the b axis of the crystal structure.

| S-EPMC2960197 | biostudies-literature

2-Methyl-N-(4-methyl-phen-yl)benzamide.

Project description:The conformations of the N-H and C=O bonds in the structure of the title compound, C(15)H(15)NO, are trans to each other. Furthermore, the position of the amide O atom is syn to the ortho-methyl group in the benzoyl ring. The central amide group is tilted at an angle of 59.96?(11)° to the benzoyl ring, and the benzoyl and aniline rings form a dihedral angle of 81.44?(5)°. N-H?O hydrogen bonds link the mol-ecules into infinite chains running along the c axis.

| S-EPMC2962118 | biostudies-literature

3-Methyl-N-(4-methyl-phen-yl)benzamide.

Project description:In the title compound, C(15)H(15)NO, the two aromatic rings make a dihedral angle of 70.06?(3)°, while the central amide core -NH-C(=O)- is twisted by 30.24?(4) and 40.16?(3)° out of the planes of the 3-methyphenyl and 4-methyphenyl rings, respectively. The methyl groups are disordered over two equally occupied positions. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into infinite chains running along the a axis.

| S-EPMC3247311 | biostudies-literature

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