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Ethyl 4-(3-benzoyl-thio-ureido)benzoate.

ABSTRACT: The title compound, C(17)H(16)N(2)O(3)S, crystallizes in the thio-amide form with an intra-molecular N-H?O hydrogen bond across the thio-urea system. Mol-ecules are connected in chains parallel to [10] by hydrogen bonds from the second thio-urea N-H group to the benzoate C=O function.

SUBMITTER: Saeed S

PROVIDER: S-EPMC2962115 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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Ethyl 4-(3-benzoyl-thio-ureido)benzoate.

Saeed Sohail S Bhatti Moazzam Hussain MH Yunus Uzma U Jones Peter G PG

Acta crystallographica. Section E, Structure reports online 20080712 Pt 8

The title compound, C(17)H(16)N(2)O(3)S, crystallizes in the thio-amide form with an intra-molecular N-H⋯O hydrogen bond across the thio-urea system. Mol-ecules are connected in chains parallel to [10] by hydrogen bonds from the second thio-urea N-H group to the benzoate C=O function. ...[more]

PMID: 21203197

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Ethyl 2-(3-benzoyl-thio-ureido)acetate.

Project description:The title compound, C(12)H(14)N(2)O(3)S, adopts a cis-trans geometry of the thio-urea group and is stabilized by intra-molecular hydrogen bonds between the carbonyl O atoms and the H atom of the thio-amide group and by a C-H?S interaction. Mol-ecules are linked by two inter-molecular hydrogen bonds (C-H?O and N-H?O), forming a one-dimensional chain parallel to the c axis.

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Ethyl 2-[3-(3,5-Dinitrobenzo-yl)thio-ureido]benzoate.

Project description:In the title compound, C(17)H(14)N(4)O(7)S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid-centroid distance of 3.9825 (19) Å between nearly parallel benzene rings of adjacent mol-ecules suggests the existence of π-π stacking. Inter-molecular and intra-mol-ecular N-H⋯O hydrogen bonding is present in the structure. The eth-oxy group is disordered over two sets of sites with an occupancy ratio of 0.580 (15):0.420 (15). The crystal studied was an inversion twin.

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Ethyl 2-[3-(4-nitro-benzo-yl)thio-ureido]benzoate.

Project description:In the title compound, C(17)H(15)N(3)O(5)S, the nitro and thio-ureido groups are twisted by 7.2?(7) and 21.4?(2)°, respectively, from the nitro-benzene ring plane whereas the thio-ureido and the ethyl ester group make dihedral angles of 43.0?(1) and 18.0?(2)°, respectively, with the benzene rings to which they are attached. Intra-molecular N-H?O hydrogen-bonding inter-actions are observed. In the crystal, inter-molecular N-H?O hydrogen bonds connect the mol-ecules into chains running along the a axis.

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Ethyl 4-[3-(2-methyl-benzo-yl)thio-ureido]benzoate.

Project description:The mol-ecular conformation of the title compound, C(18)H(18)N(2)O(3)S, is stabilized by an intra-molecular N-H⋯O hydrogen bond. The crystal packing shows centrosymmetric dimers connected by N-H⋯S hydrogen bonds. The terminal eth-oxy substituents are statistically disordered [occupancy ratio 0.527 (5):0.473 (5)].

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1-Benzoyl-3-[4-(3-benzoyl-thio-ureido)phen-yl]thio-urea.

Project description:The mol-ecule of the title compound, C(22)H(18)N(4)O(2)S(2), lies across a crystallographic inversion centre. The mol-ecule adopts a syn-anti configuration with respect to the positions of the carbonyl groups and terminal phenyl rings relative to the thione S atom across the C-N bond. There are two intra-molecular N-H?O and C-H?S hydrogen bonds within each molecule, resulting in the formation of four six-membered S(6) rings. The central and terminal rings make a dihedral angle of 13.55?(15)°. In the crystal, mol-ecules are linked by inter-molecular C-H?S hydrogen bonds, forming R(2) (2)(14) rings and resulting in zigzag chains.

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Methyl 2-(3-benzoyl-thio-ureido)acetate.

Project description:In the title compound, C(11)H(12)N(2)O(3)S, the methyl acetate and benzoyl groups adopt a cis-trans configuration with respect to the thiono S atom across the C-N bonds. An intra-molecular N-H?O hydrogen bond is observed. In the crystal packing, mol-ecules are linked by inter-molecular N-H?S and C-H?O hydrogen bonds to form a two-dimensional network lying parallel to (101).

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1,2-Bis(N'-benzoyl-thio-ureido)benzene.

Project description:The title compound, C(22)H(18)N(4)O(2)S(2), was characterized by (1)H and (13)C NMR, solid-state IR spectroscopy and X-ray crystallographic techniques. The crystal structure determination reveals that the twisting modes of the two side arms are different [C-N-C-O and C-N-C-N torsion angles = -1.2 (3) and 1.1 (3)°, respectively, in one arm and 24.1 (3) and -5.1 (3)°, respectively, in the other]. The crystal structure involves N-H⋯O and N-H⋯S hydrogen bonds.

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Propyl 2-(3-benzoyl-thio-ureido)acetate.

Project description:The title compound, C(13)H(16)N(2)O(3)S, is a thio-urea derivative with benzoyl and propoxycarbonyl-methyl groups attached to the two terminal N atoms. These groups adopt trans and cis configurations, respectively, with respect to the S atom across the thio-urea C-N bonds. The compound crystallizes in the P2(1)/c space group with Z = 8, resulting in two unique molecules in the asymmetric unit linked by C-H⋯S and C-H⋯O hydrogen bonds, forming a one-dimensional zigzag chain along the c axis.

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Butyl 2-(3-benzoyl-thio-ureido)acetate.

Project description:In the title compound, C(14)H(18)N(2)O(3)S, the butyl acetate fragment and the benzoyl group adopt a cis-trans configuration, respectively, with respect to the thiono S atom across the C-N bonds. In the crystal packing, the mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds to form a one-dimensional chain along the c axis. The terminal butyl C atom is disordered with occupancies 0.82 (2)and 0.18 (2).

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Ethyl 4-(3-butyrylthio-ureido)benzoate.

Project description:The title compound, C(14)H(18)N(2)O(3)S, crystallizes in the thio-amide form with an intra-molecular N-H⋯O hydrogen bond associated with the thio-urea unit. With the benzoic acid and the butyrylthio-ureido units, the mol-ecule consists of two planar building blocks connected by the common NH function adjacent to the aromatic ring. The inter-planar angle is 33.38 (3)°. Mol-ecules are connected in chains parallel to [110] by classical hydrogen bonds of the N-H⋯O type from the other NH group to the benzoate C=O of a neighboring mol-ecule.

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