Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Bromophenyl)-2-methyl-propan-amide.

ABSTRACT: In the crystal of the title compound, C(10)H(12)BrNO, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops. Further N-H⋯O hydrogen bonds link the dimers into sheets propagating in (100).

SUBMITTER: Wang J

PROVIDER: S-EPMC2983968 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N-(4-Fluoro-phen-yl)-2,2-dimethyl-propan-amide.

Project description:The crystal packing in the title compound, C(11)H(14)FNO, features N-H?O hydrogen bonds, resulting in chains of mol-ecules running parallel to the c axis. The dihedral angle between the ring and the amide group is 39.1?(3)°.

| S-EPMC3379342 | biostudies-literature

4-Methyl-benzene-carbothio-amide.

Project description:In the title mol-ecule, C(8)H(9)NS, the mean plane of the carbothio-amide group is twisted slightly with respect to the mean plane of the benzene ring, making a dihedral angle of 17.03?(10)°. The crystal structure is stabilized by inter-molecular N-H?S hydrogen bonds, resulting in the formation of eight-membered rings lying about inversion centers and representing R(2) (2)(8) and R(4) (2)(8) motifs. Futhermore, these hydrogen bonds build up chains parallel to the b axis.

| S-EPMC2979520 | biostudies-literature

3-Methyl-amino-3-phenyl-propan-1-ol.

Project description:The title compound, C(10)H(15)NO, is an amino alcohol with the hy-droxy group residing on the terminal C atom. Apart from the hy-droxy group and the phenyl ring, all non-H atoms are almost coplanar. In the crystal, classical O-H?N and N-H?O hydrogen bonds connect the mol-ecules into centrosymmetric dimers [R(2) (2)(12) descriptor] and tetra-meric units [R(4) (4)(8) descriptor] as ring motifs, consolidating a three-dimensional network.

| S-EPMC3470215 | biostudies-literature

2-[5-Methyl-2-(propan-2-yl)phen-oxy]-N'-{2-[5-methyl-2-(propan-2-yl)phen-oxy]acet-yl}acetohydrazide.

Project description:The complete mol-ecule of the title compound, C(24)H(32)N(2)O(4), is generated by a crystallographic inversion center. The 1,2-diethyl-hydrazine moiety is nearly planar, with a maximum deviation of 0.024 (1) Å, and is inclined at a dihedral angle of 54.20 (4)° with the phenyl ring. In the crystal, [001] chains are formed, with adjacent mol-ecules in the chain linked by pair of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs. Inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed.

| S-EPMC3200946 | biostudies-literature

N-Methyl-pyrrolidine-1-carbothio-amide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(6)H(12)N(2)S, in which the N-methyl-thio-formamide unit and the pyrrolidine ring mean plane are oriented at dihedral angles of 5.9?(5) and 5.9?(4)°. In the crystal, zigzag C(4) chains extending along the a axis are formed due to N-H?S hydrogen bonds between alternate arrangements of mol-ecules. The chains are inter-linked by C-H?S hydrogen bonds.

| S-EPMC3379299 | biostudies-literature

2-Methyl-propan-2-aminium 4-hy-droxy-benzoate.

Project description:In the crystal of the title mol-ecular salt, C(4)H(12)N(+)·C(7)H(5)O(3) (-), the cation is linked to three nearby anions by N-H⋯O hydrogen bonds. An O-H⋯O hydrogen bond between anions further consolidates the packing.

| S-EPMC3006923 | biostudies-literature

1-Ferrocenyl-3-(4-methyl-anilino)propan-1-one.

Project description:In the title ferrocene derivative, [Fe(C(5)H(5))(C(15)H(16)NO)], the dihedral angle between the best planes of the benzene and the substituted cyclo-penta-dienyl ring is 83.4 (1)°. The presence of a methyl substituent in the para position of the aniline group does not alter the crystal packing compared to that of 3-anilino-1-ferrocenylpropan-1-one [Leka et al. (2012 ▶). Acta Cryst. E68, m229]. The molecules are connected into centro-symmetric dimers via N-H⋯O hydrogen bonds. In addition, C-H⋯O and C-H⋯N contacts stabilize the crystal packing.

| S-EPMC3274942 | biostudies-literature

Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methyl-propan-2-ol.

Project description:Naltrexone [systematic name: 17-(cyclo-propyl-meth-yl)-3,14-di-hydroxy-4,5?-epoxymorphinan-6-one] is an opioid receptor competitive antagonist that has been widely used to prevent relapse in opioid- and alcohol-dependent subjects. Its chloride salt forms non-isomorphic solvates with ethanol (C20H24NO4+·Cl-·C2H5OH) (I), propan-2-ol (C20H24NO4+·Cl-·C3H7OH) (II), and 2-methyl-propan-2-ol (C20H24NO4+·Cl-·C4H9OH) (III). The naltrexone cation can be described as a T-shape made out of two ring systems, a tetra-hydro-2H-naphtho-[1,8-bc]furan system and a deca-hydro-isoquinolinium subunit, that are nearly perpendicular to one another. The flexible cyclo-propyl-methyl group can adopt various different conformations in response to its surroundings: an increase of available space around cyclo-propyl-methyl group may allow it to adopt a more favorable conformation. In all these structures, the alcohol mol-ecules occupy infinite solvent-filled channels. All three compounds described are attractive crystalline forms for unambiguous identification of naltrexone chloride after isolation from a pharmaceutical form. Compound (III) was refined as a two-component twin.

| S-EPMC5499280 | biostudies-literature

3-[3-(2-Pyrid-yl)-1H-pyrazol-1-yl]propan-amide.

Project description:In the title compound, C(11)H(12)N(4)O, the pyrazole and pyridine rings are nearly coplanar [dihedral angle = 1.87?(5)°]. Adjacent mol-ecules are linked by N-H?N and N-H?O hydrogen bonds into a linear chain running along the c axis.

| S-EPMC2969522 | biostudies-other

2-Bromo-2-methyl-1-[4-(methyl-sulfan-yl)phen-yl]propan-1-one.

Project description:In the title compound, C(11)H(13)BrOS, the thio-ether unit and the phenyl ring adopt an essentially planar conformation, with a maximum deviation of 0.063?Å. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, extending in zigzag chains along the b axis. A weak intra-molecular C-H?Br hydrogen bond is also observed, which forms an S(6) ring motif.

| S-EPMC3379344 | 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