Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Pirimicarb: 2-dimethylamino-5,6-dimethylpyrimidin-4-yl dimethyl-carbamate.

ABSTRACT: In the title compound, C(11)H(18)N(4)O(2) (systematic name: 2-dimethyl-amino-5,6-dimethyl-pyrimidin-4-yl N,N-dimethyl-carb-amate), the pyrimidine ring and dimethyl-amino group are almost in the same plane, making a dihedral angle of 1.6?(1)°. The dihedral angle between the mean plane of the pyrimidine ring and that of the dimethyl-carbamate group is 83.42?(5)°. In the crystal structure, inter-molecular C-H?O hydrogen bonds contribute to the stabilization of the packing.

SUBMITTER: Yang H

PROVIDER: S-EPMC3007355 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Pirimicarb: 2-dimethylamino-5,6-dimethylpyrimidin-4-yl dimethyl-carbamate.

Yang Hojin H Kim Tae Ho TH Shin Yong Woon YW Park Ki-Min KM Kim Jineun J

Acta crystallographica. Section E, Structure reports online 20100714 Pt 8

In the title compound, C(11)H(18)N(4)O(2) (systematic name: 2-dimethyl-amino-5,6-dimethyl-pyrimidin-4-yl N,N-dimethyl-carb-amate), the pyrimidine ring and dimethyl-amino group are almost in the same plane, making a dihedral angle of 1.6 (1)°. The dihedral angle between the mean plane of the pyrimidine ring and that of the dimethyl-carbamate group is 83.42 (5)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds contribute to the stabilization of the packing. ...[more]

PMID: 21588312

Similar Datasets

(2S)-2-[(2S*,5R*,6R*)-5,6-Dimeth-oxy-5,6-dimethyl-1,4-dioxan-2-yl]-1-[(S)-1,1-dimethyl-ethylsulfon-yl]aziridine.

Project description:The reaction of a sulfur ylide with a chiral non-racemic sulfinyl imine afforded the desired aziridine in excellent yield and subsequent oxidation of the sulfinyl moiety dissolved in anhydrous dichloro-methane using a 75% aqueous solution of 3-chloro-per-oxy-benzoic acid afforded the title compound, C(14)H(27)NO(6)S. The configuration of the newly formed stereogenic center at the point of attachment of the 1,4-dioxane ring to the aziridine ring is S. The configurations of the pre-existing sites 2-, 5-, and 6-positions of the 1,4-dioxane ring prior to reaction of sulfinyl imine with the sulfur ylide are S, R, and R, respectively. The C-N bond lengths of the aziridine are 1.478 (2) and 1.486 (2) Å.

| S-EPMC3011582 | biostudies-literature

2,2-Dimethyl-1,3-benzodioxol-4-yl N-methyl-carbamate.

Project description:In the title compound, C(11)H(13)NO(4), the two fused rings are almost coplanar, making a dihedral angle of 3.02?(8)°. In the crystal, chains are formed parallel to [010] through N-H?O hydrogen bonds between the amine and carbonyl groups.

| S-EPMC2983127 | biostudies-literature

Ethyl N-[3-(N,N-dimethyl-carbamo-yl)pyridin-2-ylsulfon-yl]carbamate.

Project description:In the mol-ecular structure of the title compound, C(11)H(15)N(3)O(5)S, the amide group is nearly perpendicular to the pyridine ring, making a dihedral angle of 86.30 (13)°. The terminal ethyl group is disordered over two sites of equal occupancy. Inter-molecular N-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2983541 | biostudies-literature

5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyri-din-2-yl)meth-yl]-1H-benzimidazole.

Project description:The title compound, C20H18N4, was obtained via the condensation of 4,5-di-methyl-benzene-1,2-di-amine with pyridine-2-carbaldehyde. The plane of the 2-(pyridin-2-yl) substitutent is canted by 2.75 (11)° from the plane of the benzimidazole system. The mol-ecule exhibits an S(6) C-H⋯N intra-molecular hydrogen-bond motif. In the crystal, C-H⋯N hydrogen bonds link pairs of mol-ecules related by a crystallographic inversion center, forming R 2 (2)(20) rings. Additional weak C-H⋯N hydrogen bonds result in C(9) chains parallel to [001].

| S-EPMC3998417 | biostudies-literature

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl N-ethyl-carbamate.

Project description:The title compound, C(13)H(17)NO(3), crystallizes with two independent mol-ecules in the asymmetric unit. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, forming chains propagaiting in [100]. A weak C-H⋯O inter-action also occurs.

| S-EPMC2970984 | biostudies-literature

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyl-dithio-carbamate.

Project description:In the title compound, C(17)H(21)NO(2)S(2), the coumarin ring system is nearly planar, with a maximum deviation of 0.080 (2) Å from the mean plane. An intra-molecular C-H⋯S hydrogen bond occurs. The crystal structure features C-H⋯S hydrogen bonds and weak π-π inter-actions with a centroid-centroid distance of 3.679 (1) Å.

| S-EPMC3379255 | biostudies-literature

(E)-1,2-Bis(1-propyl-5,6-dimethyl-1H-benzimidazol-2-yl)ethene.

Project description:In the title compound, C(26)H(32)N(4), the essentially planar (r.m.s. deviations of 0.0053 and 0.0242 Å) benzimidazole fragments are trans with respect to a central ethene fragment, and are canted in opposite directions by 2.78 (6) and 5.87 (6)° with respect to the ethene plane, giving the mol-ecule a propeller conformation. The terminal ethyl fragments of the pendant n-propyl groups protrude to either side of the benzimidazole planes. Overall, the mol-ecule exhibits a pseudo-center of symmetry at the mid-point of the ethene fragment. Both π-π stacking and typical C-H⋯π inter-actions are notably absent, as are inter-molecular hydrogen bonds. When viewed along the a axis, the structure appears as criss-crossed layers of mol-ecules with the planar fragments separated along the c-cell direction by the protruding ethyl groups.

| S-EPMC2983724 | biostudies-literature

Vadimezan: 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid.

Project description:In the title mol-ecule, C(17)H(14)O(4), the C atom of the carboxyl group deviates by 1.221 (3) Å from the plane [maximum deviation = 0.0122(2) Å] of the tricycic ring system. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, and π-π inter-actions [centroid-centroid distances = 3.491 (3), 3.591 (3), 3.639 (3) and 3.735 (3) Å] link these dimers into layers parallel to the ac plane. Weak inter-molecular C-H⋯O inter-actions further consolidate the crystal packing.

| S-EPMC3007383 | biostudies-literature

S-2-(Adamant-1-yl)-4-methyl-phenyl N,N-dimethyl-thio-carbamate.

Project description:The title compound, C(20)H(27)NOS, was obtained from the corresponding O-thio-carbamate. The structure features a C=O bond distance of 1.209 (2) Å and an sp(3)-hybridized S atom [C-S-C = 101.66 (1)°]. The steric bulk of the 1-adamantyl substituent on the 2-position of the aromatic ring is reflected in the S-C-C-C torsion angle [-7.5 (3)°].

| S-EPMC2915366 | biostudies-literature

5,6-Dimethyl-2-(5-methyl-thio-phen-2-yl)-1-[(5-methyl-thio-phen-2-yl)meth-yl]-1H-benzimidazole.

Project description:The title mol-ecule, C20H20N2S2, is T-shaped and consists of a nearly flat 5,6-dimethyl-2-(5-methyl-thio-phen-2-yl)benzimidazole system approximately perpendicular to the 5-methyl-thio-phen-2-ylmethyl substituent. The 5,6-dimethyl-2-(5-meth-yl-thio-phen-2-yl)benzimidazole system is rotationally disordered about the two imidazole N atoms as approximated by a twofold rotation axis with a refined major/minor occupancy ratio of 0.884 (2):0.116 (2). The benzimidazole ring system is essentially planar, the largest deviations being 0.026 (2) and 0.044 (18) Å in the major and minor components, respectively. The inter-planar angles between the benzimidazole unit and the 5-methyl-thio-phen-2-yl substituent are 10.8 (3) and 8(3)° in the major and minor components, respectively, and the corresponding angles with the 5-methyl-thio-phen-2-ylmethyl substituent are 88.12 (8) and 89.5 (4)°. In the crystal, mol-ecules are oriented with their 2-(5-methyl-thio-phen-2-yl)benzimidazole mean planes approximately parallel to (11[Formula: see text]) and appear to be held together by π-π [2-thiophene⋯imidazole centroid-centroid distance = 4.1383 (7) Å] and C-H⋯π contacts. A weak C-H⋯N hydrogen bond generates infinite chains parallel to [100].

| S-EPMC3998620 | 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