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4-Methyl-N-[2-(pyridin-2-yl)ethyl-carbamo-thio-yl]benzamide.

ABSTRACT: In the title compound, C16H17N3OS, the dihedral angle between the planes of the benzene and pyridine rings is 71.33?(15)°. An intra-molecular N-H?O hydrogen bond is present. In the crystal, weak aromatic C-H?O hydrogen bonds link the mol-ecules into chains extending along a.

SUBMITTER: Adam F

PROVIDER: S-EPMC4158510 | biostudies-other | 2014 Aug

REPOSITORIES: biostudies-other

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4-Methyl-N-[2-(pyridin-2-yl)ethyl-carbamo-thio-yl]benzamide.

Adam Farook F Ameram Nadiah N Eltayeb Naser Eltaher NE

Acta crystallographica. Section E, Structure reports online 20140731 Pt 8

In the title compound, C16H17N3OS, the dihedral angle between the planes of the benzene and pyridine rings is 71.33 (15)°. An intra-molecular N-H⋯O hydrogen bond is present. In the crystal, weak aromatic C-H⋯O hydrogen bonds link the mol-ecules into chains extending along a. ...[more]

PMID: 25249927

Similar Datasets

Crystal structure of 2-methyl-N-[(4-methyl-pyridin-2-yl)carbamo-thio-yl]benzamide.

Project description:In the title compound, C15H15N3OS, there is an intra-molecular N-H?O hydrogen bond and an intra-molecular C-H?S hydrogen bond involving the C=O and C=S bonds which lie on opposite sides of the mol-ecule. The mol-ecule is non-planar with the benzene and pyridine rings being inclined to one another by 26.86?(9)°. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H?S hydrogen bonds, forming slabs parallel to the bc plane.

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3-({[Bis(2-methyl-prop-yl)carbamo-thio-yl]amino}-carbon-yl)benzamide.

Project description:In the title compound, C17H25N3O2S, the terminal and central amide groups are, respectively, twisted and coplanar with the attached benzene ring [O-C-C-C torsion angles = 22.7?(3) and 5.4?(3)°]. In the central part of the mol-ecule, the amide and thio-amide residues are approximately perpendicular [C-N-C-S torsion angle = -104.98?(18)°]. Supra-molecular layers with a zigzag topology are formed in the crystal packing by N-H?O, N-H?S and C-H?O inter-actions; these stack along c, being separated by hydro-phobic inter-actions.

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N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-2-methyl-benzamide.

Project description:The title compound, C13H18N2O2S, adopts a cis conformation between the methyl-benzoyl and thiono groups across their thio-urea C-N bond. However, the methyl-benzoyl group and N2CS thio-urea moiety are twisted by 15.03?(3)°. In the molecule there is an N-H?O hydrogen bond. In the crystal, mol-ecules are linked by O-H?O inter-actions, generating chains extending along the c-axis direction.

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Crystal structure of 4-methyl-N-[(4-methyl-pyridin-2-yl)carbamo-thioyl]-benzamide.

Project description:In the title compound, C15H15N3OS, the dihedral angle between the planes of the benzene and pyridine rings is 26.86?(9)°. Intra-molecular N-H?O and C-H?S hydrogen bonds both generate S(6) rings. The C=O and C=S bonds lie to opposite sides of the mol-ecule. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R 2 (2)(8) loops.

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3-{[(Di-benzyl-carbamo-thio-yl)amino]-carbon-yl}benzamide.

Project description:Two independent mol-ecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C23H21N3O2S. The terminal amide substituent is coplanar with the attached benzene ring [the O-C-C-C torsion angles are 174.0?(2) (A) and 6.3?(3)° (B)]. In the same way, the central amide group [C-C-C-O = 7.8?(3) (A) and 11.5?(3)° (B)] is approximately coplanar with the ring to which it is attached. A major twist is noted between the amide and adjacent thio-amide residues [C-N-C-S = -109.29?(19) (A) and -112.29?(19)° (B)]. In the crystal, supra-molecular chains along [100] are formed by N-H?O and N-H?S hydrogen bonding. These are connected into a three-dimensional architecture by C-H?? and ?-? inter-actions [inter-centroid distance = 3.9157?(12)?Å].

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Crystal structure of 2-methyl-N-{[2-(pyri-din-2-yl)eth-yl]carbamo-thio-yl}benzamide.

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N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-3-fluoro-benzamide.

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Project description:In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41?(8)°. An intra-molecular N-H?O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H?S and O-H?O hydrogen bonds link the molecules, forming chains along the b-axis direction.

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

Project description: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.

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Ethyl N-[3-(N,N-dimethyl-carbamo-yl)pyridin-2-ylsulfon-yl]carbamate.

Project description:In the mol-ecular structure of the title compound, C(11)H(15)N(3)O(5)S, the amide group is nearly perpendicular to the pyridine ring, making a dihedral angle of 86.30?(13)°. The terminal ethyl group is disordered over two sites of equal occupancy. Inter-molecular N-H?O hydrogen bonding is present in the crystal structure.

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