Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)acetamide.

ABSTRACT: In the title compound, C8H8N2O2, the acetamide unit is inclined to the furan ring by 76.7 (1)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds, generating C(4) chains along [100]. The carbonyl O atom is a bifurcated acceptor and an R (1) 2(6) ring is formed.

SUBMITTER: Subhadramma S

PROVIDER: S-EPMC4518919 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)acetamide.

Subhadramma Shivanna S Siddaraju Budanur Papaiah BP Naveen Chandra C Saravanan Janardhanan J Gayathri Dasararaju D

Acta crystallographica. Section E, Crystallographic communications 20150610 Pt 7

In the title compound, C8H8N2O2, the acetamide unit is inclined to the furan ring by 76.7 (1)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds, generating C(4) chains along [100]. The carbonyl O atom is a bifurcated acceptor and an R (1) 2(6) ring is formed. ...[more]

PMID: 26279905

Similar Datasets

Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)-3-(3-nitro-phen-yl)propanamide.

Project description:In the title compound, C15H11N3O4, the acetamide group is inclined to the furan ring by 66.5 (1)°. The dihedral angle between the furan ring and the benzene ring is 66.8 (1)°. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with an R 2 (2)(12) ring motif. The dimers are linked via two pairs of C-H⋯O hydrogen bonds to the same acceptor oxygen atom, enclosing R 2 (1)(6) ring motifs, forming chains along the [101] direction.

| S-EPMC4571401 | biostudies-literature

Crystal structure of N-[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]acetamide hemihydrate.

Project description:The title compound, C9H10N4OS·0.5H2O, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, together with a water mol-ecule of crystallization. The acetamide moiety, which has an extended conformation, is inclined to the pyridine ring by 7.95 (16)° in mol-ecule A and by 1.77 (16)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked by two N-H⋯Ocarbon-yl hydrogen bonds, forming a dimer. The dimers are linked via N-H⋯N hydrogen bonds, forming ribbons that are linked by N-H⋯Owater hydrogen bonds to form sheets parallel to (110). The sheets are linked by O-H⋯N hydrogen bonds, forming slabs, and between the slabs there are weak slipped parallel π-π inter-actions [inter-centroid distance = 3.734 (2) Å, inter-planar distance = 3.3505 (11) Å and slippage = 1.648 Å], forming a three-dimensional structure.

| S-EPMC4350750 | biostudies-literature

Crystal structure of N-[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]-2-chloro-acetamide.

Project description:In the title compound, C9H9ClN4OS, the dihedral angle between the acetamide moiety and the pyridine ring is 4.83 (12)°. The O=C-C-Cl torsion angle is 46.4 (3)° and an intra-molecular C-H⋯O inter-action generates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯O, N-H⋯N and C-H⋯N hydrogen bonds, generating sheets lying parallel to (120).

| S-EPMC4350726 | biostudies-literature

Crystal structure of N-[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]-2-(cyclo-hexyl-sulfan-yl)acetamide.

Project description:In the title mol-ecule, C15H20N4OS2, the acetamido fragment is nearly coplanar with the pyridyl ring [C-N-C-C torsion angle = -4.1 (2)°], while the cyclo-hexyl-sulfanyl portion protrudes from this plane [N-C-C-S torsion angle = -40.8 (6)°]. In the crystal, alternating pairwise N-H⋯O and N-H⋯N hydrogen bonds across inversion centres form chains along [101], which are associated into stepped layers via offset π-π stacking between pyridyl rings [centroid-centroid distance = 3.566 (1) Å]. The cyclo-hexyl group and the two atoms of the S-C bond attached to it are disordered over two sets of sites with site-occupancy factors of 0.8845 (18) and 0.1155 (18).

| S-EPMC4186101 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 4-cyano-<i>N</i>-[(4-cyano-phen-yl)sulfon-yl]-<i>N</i>-[2-(5-methyl-furan-2-yl)phen-yl]benzene-sulfonamide.

Project description:In the title compound, C25H17N3O5S2, intra-molecular π-π inter-actions [centroid-to-centroid distance = 3.5640 (9) Å] are observed between the furan and benzene rings of the 4-cyano-phenyl group. In the crystal, mol-ecules are connected via C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to the (100) plane. These layers are inter-connected by C-H⋯π inter-actions and weak van der Waals inter-actions. Hirshfeld surface analysis indicates that H⋯H (30.2%), N⋯H/H⋯N (22.3%), C⋯H/H⋯C (17.9%) and O⋯H/H⋯O (15.4%) inter-actions make the most significant contributions to the crystal packing.

| S-EPMC10439414 | biostudies-literature

2,2,2-Trifluoro-N-(isoquinolin-5-ylmeth-yl)acetamide.

Project description:The mol-ecular structure of the title compound at 123 K, C(12)H(9)F(3)N(2)O, presents a rotationally disordered CF(3) group. Hydrogen bonds between the amide NH group and the N atom of the isoquinoline form a chain in the b-axis direction. The packed structure forms alternate layers of isoquinoline and amide groups parallel to the ab plane.

| S-EPMC2980156 | biostudies-literature

2-(Furan-2-yl)-1,3-bis(furan-2-ylmeth-yl)-1H-benzimidazol-3-ium chloride monohydrate.

Project description:The title hydrated salt, C(21)H(17)N(2)O(3) (+)·Cl(-)·H(2)O, exhibits disorder in one of the furan rings. The major and minor components have a refined occupancy ratio of 0.844 (19):0.156 (19). The structure displays intermolecular hydrogen bonding involving the water molecule and the chloride anion. Close intermolecular C-H⋯Cl and C-H⋯(furan ring) inter-actions complete the hydrogen bonding.

| S-EPMC3470365 | biostudies-literature

rac-1-(Furan-2-ylmeth-yl)-N-nitro-5-(oxolan-2-ylmeth-yl)-1,3,5-triazinan-2-imine.

Project description:In the title compound C(13)H(19)N(5)O(4), which belongs to the insecticidally active neonicotinoid group of compounds, the triazane ring exhibits a half-chair conformation. The large discrepancy between the two nitro O-N-N bond angles [116.1 (2) and 123.98 (19)°] may be attributed to intra-molecular N-H⋯O hydrogen bonding involving one of the nitro O atoms as the acceptor. The delocalization of the electrons extends as far as the nitro group, forming coplanar π-electron networks. In the crystal, inversion dimers lined by pairs of N-H⋯O hydrogen bonds occur.

| S-EPMC2983308 | biostudies-literature

Crystal structure of (E)-(benzyl-idene)(pyridin-2-ylmeth-yl)amine.

Project description:In the title mol-ecule, C13H12N2, all non-H atoms, except for those of the pyridine ring, are essentially coplanar, with an r.m.s. deviation of 0.025 Å. The mean plane of these atoms forms a dihedral angle of 80.98 (4)° with the pyridine ring. In the crystal, weak C-H⋯π inter-actions link the mol-ecules, forming a three-dimensional network.

| S-EPMC4719968 | biostudies-literature

(R)-2-Cyano-N-(1-phenyl-eth-yl)acetamide.

Project description:In the title compound, C11H12N2O, the dihedral angle between the acetamide group and the benzene ring is 68.7 (1)°. In the crystal, N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into chains along the a-axis direction.

| S-EPMC3647851 | 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