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4-Diethyl-amino-3,5-diisopropyl-benzalde-hyde.

ABSTRACT: The title benzaldehyde, C(17)H(27)NO, was prepared via lithia-tion of bromoaniline and reaction with DMF. In the crystal, the molecule adopts a C2-symmetrical conformation; nevertheless, two modes of disorder are present: the orientation of the aldehyde group (occupancy ratio 0.5:0.5) and of symmetry-equivalent ethyl groups [occupancy ratio 0.595 (7):0.405 (7)]. The phenyl-ene ring and the carbonyl group are essentially coplanar [C-C-C-O torsion angle = -179.0 (4)°] but the dihedral angle between the mean planes of the phenyl-ene ring and the amino group = 67.5 (2)°. This and the long [1.414 (3) Å] aniline C-N bond indicate electronic decoupling between the carbonyl and amino groups. The angle sum of 359.9 (2)° around the N atom results from steric compression-induced rehybridization.

SUBMITTER: Wink C

PROVIDER: S-EPMC3238983 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4,6-Di-tert-butyl-2,3-di-hydroxy-benzalde-hyde.

Project description:The title compound, C15H22O3, crystallizes with two independent mol-ecules in the asymmetric unit. In each mol-ecule, one hy-droxy group (at position 2) is involved in an intra-molecular O-H?O hydrogen bond, and another one (at position 3) exhibits bifurcated hydrogen-bonding being involved in intra- and inter-molecular O-H?O inter-actions. In the crystal, O-H?O hydrogen bonds link alternating independent mol-ecules into chains running along [010].

| S-EPMC3790425 | biostudies-literature

Bis[4-hy-droxy-3,5-dimeth-oxy-benzalde-hyde (2,4-dinitro-phen-yl)hydrazone] N,N-dimethyl-formamide disolvate monohydrate.

Project description:In the title compound, 2C(15)H(14)N(4)O(7)·2C(3)H(7)NO·H(2)O, the hydrazone mol-ecules are roughly planar, with the two benzene rings twisted slightly relative to each other by dihedral angle of 6.04?(11) and 7.75?(11)° in the two mol-ecules. The water mol-ecule is linked to the Schiff base mol-ecule by an O-H?O hydrogen bond. Intra-molecular N-H?O hydrogen bonds occur. In the crystal, mol-ecules are linked by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC2983379 | biostudies-literature

4-Meth-oxy-3-(meth-oxy-meth-yl)benzalde-hyde.

Project description:In the title compound, C10H12O3, the dihedral angle between the benzene ring and the meth-oxy-methyl side chain is 9.7?(2)°. The O atom of the aldehyde group and the C atom of the meth-oxy group deviate from the plane of the ring by 0.039?(3) and 0.338?(4)?Å, respectively. The only inter-molecular inter-actions are very weak C-H?? inter-actions.

| S-EPMC3588244 | biostudies-other

1,7-Diethyl-4,10-diisopropyl-tetra-cene.

Project description:The mol-ecule of the title compound, C(28)H(32), is located on a crystallographic inversion center. The ethyl groups are essentially coplanar with the tetra-cene ring, making a torsion angle of -0.4?(4)°. The isopropyl groups adopt an asymmetric conformation with their terminal methyl groups positioned on opposite sides of the tetra-cene plane [the Me-C-C-C torsion angles are -22.5?(4) and 100.9?(3)°]. In the crystal, the mol-ecules adopt an arrangement without significant ?-? inter-actions along the stacking direction (y axis).

| S-EPMC3201380 | biostudies-literature

(E)-4-[(1-Benzyl-4-benzyl-idene-2,5-di-oxopyrrolidin-3-yl)meth-yl]benzalde-hyde 0.25-hydrate.

Project description:The crystal structure of the title compound, C(26)H(21)NO(3)·0.25H(2)O, reveals one stereogenic centre in the mol-ecule. Nevertheless, due to the observed centrosymmetric space group, both enanti-omers are present in the crystal packing. The water molecule of crystallisation is located on a crystallographic inversion center. The mol-ecule contains one five-membered ring (A) and three six-membered rings (benzyl ring B, benzyl-idene ring C and formyl-benzyl ring D). All four rings are not coplanar: the dihedral angles between rings A and B, A and C, and A and D are 70.35?(9), 33.8?(1) and 60.30?(9)°, respectively. In the crystal, pairs of weak C-H?O inter-actions lead to the formation of centrosymmetric dimers. Additional C-H?O inter-actions link the dimers into chains along [011].

| S-EPMC3344122 | biostudies-literature

Diethyl 4-[4-(dimethyl-amino)phen-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(21)H(28)N(2)O(4), the dihydro-pyridine ring adopts a flattened boat conformation. The mean plane of the dihydro-pyridine ring and the attached benzene ring form a dihedral angle of 85.1?(1)?Å. One of two ethyl fragments is disordered between two conformations in a 0.67?(4):0.33?(4) ratio. In the crystal structure, mol-ecules related by translation along the a axis are linked into chains via inter-molecular N-H?O hydrogen bonds.

| S-EPMC2983663 | biostudies-literature

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| S-EPMC3569177 | biostudies-literature

1,1,2,2-Tetra-kis(diisopropyl-amino)diphosphane.

Project description:In the title compound, C(24)H(56)N(4)P(2), the distance between the P atoms [2.2988?(8) and 2.3013?(13)?Å in the major and minor occupancy components, respectively] is one of the longest reported for uncoordinated diphosphanes. The whole mol-ecule is disordered over two positions with site-occupation factors of 0.6447?(8) and 0.3553?(8). The structure adopts the synperiplanar conformation in the solid state [N-P-P-N torsion angle = 14.7?(5)°].

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Ethyl 2-diethyl-amino-4-oxo-3,5-diphenyl-4,5-dihydro-3H-pyrrolo-[3,2-d]pyrimidine-7-carboxyl-ate.

Project description:In the title compound, C(25)H(26)N(4)O(3), the two fused pyrrolo-[3,2-d]pyrimidine rings form a dihedral angle of 3.7?(2)°. The two substituent phenyl rings are twisted with respect to the pyrrole and pyrimidine rings, making dihedral angles of 57.2?(2) and 69.0?(2)°, respectively. The ethyl and eth-oxy groups are disordered over two positions; the site occupancies are 0.53?(1) and 0.47?(1) for ethyl, and 0.63?(1) and 0.37?(1) for eth-oxy. The crystal packing features C-H?O hydrogen bonds.

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Dimethyl 3,5-diethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Project description:The title pyrrole derivative, C(12)H(17)NO(4), consists of a pyrrole ring with two diagonally attached meth-oxy-carbonyl groups and two diagonally attached ethyl groups. The two carbonyl groups are approximately in the same plane as the pyrrole ring, making dihedral angles of 3.50?(19) and 6.70?(19)°. In the crystal, adjacent mol-ecules are assembled into dimers in a head-to-head mode by pairs of inter-molecular N-H?O hydrogen bonds.

| S-EPMC3213539 | biostudies-literature

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