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N-[(3-Ethyl-phen-yl)carbamo-thio-yl]-2,2-di-phenyl-acetamide.

ABSTRACT: In the title mol-ecule, C23H22N2OS, the di-phenyl-acetyl and ethyl-benzene groups adopt a trans-cis conformation, respectively, with respect to the S atom across the (S=)C-N bonds. This conformation is stabilized by an intra-molecular N-H?O hydrogen bond and a weak C-H?S hydrogen bond. The ethyl-substituted benzene ring forms dihedral angles of 87.53?(15) and 73.94?(15)° with the phenyl rings. In the crystal, N-H?O hydrogen bonds link mol-ecules into chains along [100]. A weak C-H?? inter-action is also observed.

SUBMITTER: Yusof MS

PROVIDER: S-EPMC3772456 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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N-[(3-Ethyl-phen-yl)carbamo-thio-yl]-2,2-di-phenyl-acetamide.

Yusof Mohd Sukeri Mohd MS Razali Nur Rafikah NR Arshad Suhana S Rahman Azhar Abdul AA Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

In the title mol-ecule, C23H22N2OS, the di-phenyl-acetyl and ethyl-benzene groups adopt a trans-cis conformation, respectively, with respect to the S atom across the (S=)C-N bonds. This conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond and a weak C-H⋯S hydrogen bond. The ethyl-substituted benzene ring forms dihedral angles of 87.53 (15) and 73.94 (15)° with the phenyl rings. In the crystal, N-H⋯O hydrogen bonds link mol-ecules into chains along [100]. A weak C-H⋯π inter-action ...[more]

PMID: 24046599

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N-[(2,6-Di-ethyl-phen-yl)carbamo-thio-yl]-2,2-di-phenyl-acetamide.

Project description:In the title compound, C25H26N2OS, the diethyl-substituted benzene ring forms dihedral angles of 67.38?(9) and 55.32?(9)° with the terminal benzene rings. The mol-ecule adopts a trans-cis conformation with respect to the orientations of the di-phenyl-methane and 1,3-di-ethyl-benzene groups with respect to the S atom across the C-N bonds. This conformation is stabilized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into inversion dimers, forming R 2 (2)(6) loops. The dimer linkage is reinforced by a pair of C-H?S hydrogen bonds, which generate R 2 (2)(8) loops. Weak C-H?? and ?-? [centroid-centroid seperation = 3.8821?(10)?Å] inter-actions also occur in the crystal structure.

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Project description:The conformation of the N-H and C=O bonds in the title compound, C(8)H(7)Cl(2)NO(3)S, is trans. The benzene ring and the SO(2)-NH-CO-C group form a dihedral angle of 79.75?(8)°. Mol-ecules are connected via N-H?O hydrogen bonds to form linear supra-molecular chains.

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Project description:The conformation of the N-H bond in the structure of the title compound (3NPDCA), C(8)H(6)Cl(2)N(2)O(3), is anti to the meta-nitro group, similar to that in the structures of 2-chloro-N-(3-nitro-phen-yl)acetamide (3NPCA) and 2,2,2-trichloro-N-(3-nitro-phen-yl)acetamide (3NPTCA), and the meta-chloro group in 2,2-dichloro-N-(3-chloro-phen-yl)acetamide (3CPDCA). The geometric parameters of 3NPDCA are similar to those of 2,2-dichloro-N-phenyl-acetamide, 3CPDCA, 3NPCA, 3NPTCA and other acetanilides. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains running along the b axis.

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Project description:The structure of the title compound, C(10)H(11)Cl(2)NO, resembles those of 2,2-dichloro-N-phenyl-acetamide, 2,2-dichloro-N-(2-methyl-phen-yl)acetamide, 2,2-dichloro-N-(3-methyl-phen-yl)-acetamide, 2,2-dichloro-N-(4-methyl-phen-yl)acetamide, N-(3,5-dimethyl-phen-yl)acetamide and other acetanilides, with similar bond parameters. The mol-ecules in the title compound are linked into infinite chains through N-H?O and C-H?O hydrogen bonding.

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