Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-Ethyl 2-(3-cinnamoyl-thio-ureido)acetate.

ABSTRACT: In the title compound, C(14)H(16)N(2)O(3)S, the phenyl ring and the ethyl 2-(3-formyl-thio-ureido)acetate fragment adopt an E configuration with respect to the C=C bond. An intra-molecular N-H?O hydrogen bond generating an S(6) ring motif is observed. In the crystal, mol-ecules are linked by N-H?S, C-H?S and C-H?O hydrogen bonds, forming sheets lying parallel to the ab plane.

SUBMITTER: Hassan IN

PROVIDER: S-EPMC3009106 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-Ethyl 2-(3-cinnamoyl-thio-ureido)acetate.

Hassan Ibrahim N IN Yamin Bohari M BM Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

In the title compound, C(14)H(16)N(2)O(3)S, the phenyl ring and the ethyl 2-(3-formyl-thio-ureido)acetate fragment adopt an E configuration with respect to the C=C bond. An intra-molecular N-H⋯O hydrogen bond generating an S(6) ring motif is observed. In the crystal, mol-ecules are linked by N-H⋯S, C-H⋯S and C-H⋯O hydrogen bonds, forming sheets lying parallel to the ab plane. ...[more]

PMID: 21588982

Similar Datasets

(E)-Methyl 2-(3-cinnamoyl-thio-ureido)acetate.

Project description:In the title compound, C(13)H(14)N(2)O(3)S, the methyl 2-(3-formyl-thio-ureido)acetate fragment and the phenyl ring adopt an E configuration. The mol-ecule exhibits an intra-molecular N-H⋯O hydrogen bond, which completes a six-membered ring. The crystal packing is stabilized by inter-molecular N-H⋯S contacts, generating a two-dimensional hydrogen-bonding network.

| S-EPMC3007976 | biostudies-literature

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.

| S-EPMC2960614 | biostudies-literature

(E)-2-(3-Cinnamoyl-thio-ureido)acetic acid dimethyl sulfoxide disolvate.

Project description:In the title compound, C(12)H(12)N(2)O(3)S·2C(2)H(6)OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H?O and O-H?O hydrogen bonds and in the crystal weak inter-molecular C-H?O and C-H?S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intra-molecular N-H?O hydrogen bond is also present.

| S-EPMC3201284 | biostudies-literature

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).

| S-EPMC2972120 | biostudies-literature

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.

| S-EPMC2959494 | biostudies-literature

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).

| S-EPMC2959747 | biostudies-literature

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

Project description: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.

| S-EPMC2962115 | biostudies-literature

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 ?-? 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.

| S-EPMC3089348 | biostudies-literature

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.

| S-EPMC2984025 | biostudies-literature

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)].

| S-EPMC2970993 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data