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N-(5-Chloro-2-nitro-phen-yl)-2,2-di-methyl-propanamide.

ABSTRACT: In the crystal structure of the title compound, C(11)H(13)ClN(2)O(3), mol-ecules are linked through C-H?O hydrogen bonds.

SUBMITTER: Zhang F

PROVIDER: S-EPMC3435805 | biostudies-other | 2012 Sep

REPOSITORIES: biostudies-other

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N-(5-Chloro-2-nitro-phen-yl)-2,2-di-methyl-propanamide.

Zhang Feng F Fang Zheng Z Zou Bao-Hua BH Kai Guo G

Acta crystallographica. Section E, Structure reports online 20120825 Pt 9

In the crystal structure of the title compound, C(11)H(13)ClN(2)O(3), mol-ecules are linked through C-H⋯O hydrogen bonds. ...[more]

PMID: 22969651

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N-[4-Chloro-3-(trifluoro-meth-yl)phen-yl]-2,2-dimethyl-propanamide.

Project description:In the title compound, C(12)H(13)ClF(3)NO, the C-C-N-C torsion angle between the benzene ring and the pivaloyl group is -33.9 (5)°. In the crystal, molecules are linked via N-H⋯O hydrogen bonds to form chains running parallel to the c axis. Weak van der Waals inter-actions are also observed.

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Project description:The title compound, C(10)H(11)BrN(2)O(3), exhibits a small twist between the amide residue and benzene ring [the C-N-C-C torsion angle = 12.7 (4)°]. The crystal structure is stabilized by weak N-H⋯O, C-H⋯Br and C-H⋯O inter-actions. These lead to supra-molecular layers in the bc plane.

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Project description:In the title compound, C24H25ClN2O2, the 2-hy-droxy-benzyl substituents and the 2-chloro-phenyl group occupy the sterically preferred equatorial positions, whereas the methyl group occupies the axial position. The imidazolidine ring adopts an envelope conformation with one of the N atoms adjacent to the methylene group as the flap. The chloro-phenyl substit-uent approaches a nearly perpendicular orientation relative to the mean plane of the imidazolidine ring, making a dihedral angle of 73.44?(12)° and the Cl atom is almost coplanar with the C atom bearing the chloro-phenyl substituent [Cl-C-C-C torsion angle = 1.1?(3)°]. The hy-droxy-benzyl groups make dihedral angles of 71.23?(15) and 69.13?(19)° with the mean plane of the heterocyclic ring. The dihedral angle between the two hy-droxy-benzyl groups is 69.61?(12)°. The mol-ecular structure features two intra-molecular O-H?N hydrogen bonds with graph-set motif S(6) between the phenolic hydroxyl groups and N atoms.

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2-Bromo-N-(4-chloro-phen-yl)-2-methyl-propanamide.

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Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromo-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene and (<i>E</i>)-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene.

Project description:In the two isotypic title compounds, C14H8BrCl2N3O2, (I), and C14H8Cl3N3O2, (II), the substitution of one of the phenyl rings is different [Br for (I) and Cl for (II)]. Aromatic rings form dihedral angles of 60.9 (2) and 64.1 (2)°, respectively. Mol-ecules are linked through weak X⋯Cl contacts [X = Br for (I) and Cl for (II)], C-H⋯Cl and C-Cl⋯π inter-actions into sheets parallel to the ab plane. Additional van der Waals inter-actions consolidate the three-dimensional packing. Hirshfeld surface analysis of the crystal structures indicates that the most important contributions for the crystal packing for (I) are from C⋯H/H⋯C (16.1%), O⋯H/H⋯O (13.1%), Cl⋯H/H⋯Cl (12.7%), H⋯H (11.4%), Br⋯H/H⋯Br (8.9%), N⋯H/H⋯N (6.9%) and Cl⋯C/C⋯Cl (6.6%) inter-actions, and for (II), from Cl⋯H / H⋯Cl (21.9%), C⋯H/H⋯C (15.3%), O⋯H/H⋯O (13.4%), H⋯H (11.5%), Cl⋯C/C⋯Cl (8.3%), N⋯H/H⋯N (7.0%) and Cl⋯Cl (5.9%) inter-actions. The crystal of (I) studied was refined as an inversion twin, the ratio of components being 0.9917 (12):0.0083 (12).

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Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3?(6)° in (I), 42.1?(2)° in (II) and 54.4?(3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H?O hydrogen bonds and C-H?? inter-actions. The crystal structure of (I) features N-H?O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H?O inter-actions, forming a three-dimensional architecture. The structure also features ?-? inter-actions [Cg?Cg = 3.6970?(14)?Å]. In (II), N-H?O hydrogen-bonded R22(8) loops are inter-connected via ?-? inter-actions [inter-centroid distance = 3.606?(3)?Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H?O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H?? inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset ?-? inter-actions [inter-centroid distance = 3.8303?(16)?Å] to form a three-dimensional architecture.

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3,3'-{[(Biphenyl-2,2'-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-[N-(4-chloro-phen-yl)benzamide].

Project description:In the title compound, C40H30Cl2N2O4, the two benzene rings of the biphenyl unit are twisted with respect to each other, making a dihedral angle of 73.07?(4)°. The benzene rings of the benzamide groups form dihedral angles of 77.09?(5) and 55.48?(6)° with the central biphenyl moiety. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds to form a fused R 2 (2)(38) ring motif which forms a supermolecular ribbon network extending along the [100] plane. In the two 4-chloro-phenyl rings, the five C atoms and their attached H atoms are disordered over two sets of sites, with site-occupancy factors of 0.657?(15):0.343?(15) and 0.509?(13):0.491?(13).

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