Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(Pyrrolidin-1-ylcarbothio-yl)benzamide.

ABSTRACT: In the title compound, C(12)H(14)N(2)OS, the pyrrolidine ring adopts an envelope conformation with the C atom at the 3-position as the flap and makes a dihedral angle of 65.80?(9)° with the benzene ring. In the crystal, N-H?O hydrogen bonds join c-glide related mol-ecules into chains extended along [001] that are further connected into (100) layers via C-H?O inter-actions.

SUBMITTER: Al-Abbasi AA

PROVIDER: S-EPMC3254535 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(Pyrrolidin-1-ylcarbothio-yl)benzamide.

Al-Abbasi Aisha A AA Mohamed Tahir Mohamed Ibrahim MI Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

In the title compound, C(12)H(14)N(2)OS, the pyrrolidine ring adopts an envelope conformation with the C atom at the 3-position as the flap and makes a dihedral angle of 65.80 (9)° with the benzene ring. In the crystal, N-H⋯O hydrogen bonds join c-glide related mol-ecules into chains extended along [001] that are further connected into (100) layers via C-H⋯O inter-actions. ...[more]

PMID: 22259482

Similar Datasets

3-Nitro-N-[(pyrrolidin-1-yl)carbothioyl]benzamide.

Project description:In the mol-ecule of the title compound, C(12)H(13)N(3)O(3)S, the pyrrolidine ring adopts a half-chair conformation and the dihedral angle formed by the nitro group with the benzene ring is 15.18?(18)°. In the crystal, mol-ecules are linked by N-H?S and C-H?O inter-molecular hydrogen bonds into chains parallel to the c axis.

| S-EPMC3379364 | biostudies-literature

Crystal structure of 4-meth-oxy-N-[(pyrrolidin-1-yl)carbo-thio-yl]benzamide.

Project description:In the title compound, C13H16N2O2S, the pyrrolidine ring has a twisted conformation on the central -CH2-CH2- bond. Its mean plane is inclined to the 4-meth-oxy-benzoyl ring by 72.79 (15)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds to the same O-atom acceptor, forming chains along [001]. The chains are linked via slipped parallel π-π inter-actions [inter-centroid distance = 3.7578 (13) Å], forming undulating slabs parallel to (100).

| S-EPMC4438823 | biostudies-literature

N-[(Methyl-sulfan-yl)meth-yl]benzamide.

Project description:In the title compound, C(9)H(11)NOS, the phenyl ring and formamide unit make a dihedral angle of 23.93?(14)°, whereas the (methyl-sulfan-yl)methyl group is oriented at a dihedral angle of 61.31?(8)° with respect to the phenyl ring. There are inter-molecular N-H?O hydrogen bonds, forming C(4) chains along the [010] direction. These polymeric chains are linked by C-H?O hydrogen bonds to form polymeric sheets in the (110) plane.

| S-EPMC3295445 | biostudies-literature

N-[Morpholino(phen-yl)meth-yl]benzamide.

Project description:The title compound, C(18)H(20)N(2)O(2), crystallizes with two mol-ecules in the asymmetric unit. The morpholine rings of both mol-ecules adopt chair conformations. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds. One phenyl ring is disordered over two orientations in a 0.665?(5):0.335?(5) ratio.

| S-EPMC2968586 | biostudies-literature

(+)-[1-(4-Methoxy-benz-yl)pyrrolidin-2-yl]diphenyl-methanol.

Project description:The title compound, C(25)H(27)NO(2), was obtained as the product of a Grignard reagent and an inter-mediate ester synthesized from L-(-)-proline. The asymmetric unit contains two independent mol-ecules, both of which feature an intra-molecular O-H⋯N hydrogen bond. In one of the mol-ecules, the pyrrolidine ring is disordered over two orientations in a 0.63 (3):0.37 (3) ratio.

| S-EPMC2977718 | biostudies-literature

1-[(Pyrrolidin-1-yl)(p-tol-yl)meth-yl]naphthalen-2-ol.

Project description:In the title compound, C(22)H(23)NO, the dihedral angle between the naphthyl ring system and the benzene ring is 73.32?(6)°. An intra-molecular O-H?N hydrogen bond stabilizes the mol-ecular conformation. In the crystal structure, mol-ecules are linked by C-H?? inter-actions, resulting in zigzag chains parallel to the [10] direction.

| S-EPMC2959236 | biostudies-literature

1-[(Pyridin-3-yl)(pyrrolidin-1-yl)meth-yl]naphthalen-2-ol.

Project description:The title compound, C(20)H(20)N(2)O, was synthesized by a solvent-free one-pot three-component domino reaction of naph-tha-len-2-ol, nicotinaldehyde and pyrrolidine. The dihedral angle between the naphthalene ring system and the pyridine ring is 74.22 (6)°. The pyrrolidine ring assumes an envelope conformation with the N atom as the flap. An intra-molecular O-H⋯N hydrogen bond stabilizes the mol-ecular conformation.

| S-EPMC3435644 | biostudies-literature

2-(Methyl-sulfin-yl)benzamide.

Project description:In the crystal of the title compound, C(8)H(9)NO(2)S, synthesized by the oxidation of 2-(methyl-sulfan-yl)benzamide using NaOCl with 2,2,6,6-tetra-methyl-piperidyl-1-oxy (TEMPO) as the catalyst, mol-ecules are linked via inter-molecular N-H?O(amide) hydrogen bonds, forming centrosymmetric amide-amide dimers which are extended into a two-dimensional lamellar framework parallel to (100) through amide-sulfinyl N-H?O hydrogen bonds. The benzene ring forms a dihedral angle of 25.6?(2)° with the amide group.

| S-EPMC3011674 | biostudies-literature

N-(Cyano-meth-yl)benzamide.

Project description:In the structure of the title compound, C(9)H(8)N(2)O, the amide group is twisted by a dihedral angle of 21.86 (7)° with respect to the benzene ring, while the planes of the benzene ring and cyano-methyl group form a dihedral angle of 53.13 (11)°. In the crystal structure, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a chain running parallel to the a axis.

| S-EPMC2983510 | biostudies-literature

N-(Naphthalen-1-yl)benzamide.

Project description:In the title compound, C(17)H(13)NO, the N-H and C=O bonds are anti with respect to each other. The dihedral angle between the naphthalene ring system and the phenyl ring is 86.63 (5)°. In the crystal, N-H⋯O hydrogen bonds link mol-ecules into chains along [010].

| S-EPMC3238870 | 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