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Dimethyl 2-(amino-methyl-ene)malonate.

ABSTRACT: In the title compound, C(6)H(9)NO(4), which is an example of a push-pull alkene, N-H?O inter-actions stabilize the crystal structure.

SUBMITTER: Grof M

PROVIDER: S-EPMC2961616 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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Dimethyl 2-(amino-methyl-ene)malonate.

Gróf Martin M Kožíšek Jozef J Milata Viktor V Gatial Anton A

Acta crystallographica. Section E, Structure reports online 20080507 Pt 6

In the title compound, C(6)H(9)NO(4), which is an example of a push-pull alkene, N-H⋯O inter-actions stabilize the crystal structure. ...[more]

PMID: 21202723

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Dimethyl 2-(methyl-amino-methyl-ene)malonate.

Project description:In the title compound, C(7)H(11)NO(4), which is an example of a push-pull alkene, a network of N-H?O and C-H?O inter-actions helps to establish the crystal structure. The investigated crystal turned out to be a non-merohedral twin with a ratio of twin components of 0.442?(3):0.558?(3). Two pairs of independent mol-ecules (Z' = 4) are linked by inter-molecular N-H?O hydrogen bonds, forming independent chains; the chains are connected via inter-molecular C-H?O contacts, building a three-dimensional network.

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2-[(E)-(Dimethyl-amino)methyl-ene-amino]benzonitrile.

Project description:In the title compound, C(10)H(11)N(3), the amidine unit, including the two methyl substituents, is virtually planar [maximum deviation = 0.016?(5)?Å]. The plane of the benzene ring forms a dihedral angle of 46.5?(3)° with the amidine group.

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6-[(Dimethyl-amino)methyl-ene-amino]-1,3-dimethyl-pyrimidine-2,4(1H,3H)-dione dihydrate.

Project description:Uracil, the pyrimidine nucleobase, which combined with adenine forms one of the major motifs present in the biopolymer RNA, is also involved in the self-assembly of RNA. In the title compound, C(9)H(14)N(4)O(2)·2H(2)O, the asymmetric unit contains one dimethyl-amino-uracil group and two water mol-ecules. The plane of the N=C-NMe(2) side chain is inclined at 27.6?(5)° to the plane of the uracil ring. Both water mol-ecules form O-H?O hydrogen bonds with the carbonyl O atoms of the uracil group. Additional water-water hydrogen-bond inter-actions are also observed in the crystal structure. The O-H?O hydrogen bonds lead to the formation of a two-dimensional hydrogen-bonded network cage consisting of two dimethyl-amino-uracil groups and six water mol-ecules.

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3-[Bis(dimethyl-amino)-methyl-ene]-1,1-diphenyl-urea.

Project description:In the title compound, C(18)H(22)N(4)O, the C=N and C-N bond lengths in the CN(3) unit are 1.3179?(11), 1.3551?(11) and 1.3737?(11)?Å, indicating double- and single-bond character, respectively. The N-C-N angles are 115.91?(8), 118.20?(8) and 125.69?(8), showing a deviation of the CN(3) plane from an ideal trigonal-planar geometry. The bonds between the N atoms and the terminal C-methyl groups all have values close to a typical single bond [1.4529?(12)-1.4624?(12)?Å]. The dihedral angle between the phenyl rings is 79.63?(4)°. In the crystal, the mol-ecules are connected via weak C-H?O hydrogen bonds, generating chains along [100].

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Dimethyl 2-(4-methyl-benzyl-idene)malonate.

Project description:In the mol-ecule of the title compound, C13H14O4, the benzene ring forms dihedral angles of 18.60?(7) and 81.36?(8)° with the two arms of the malonate moiety. The crystal structure features C-H?O inter-actions, which form chains running parallel to the b axis.

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Dimethyl 2-[(acridin-9-yl)methyl-idene]malonate.

Project description:In the title compound, C(19)H(15)NO(4), the acridine system is essentially planar (r.m.s. deviation = 0.015?Å). The crystal packing exhibits ?-? inter-actions between pairs of centrosymmetric mol-ecules, one of them between the central heterocyclic rings and others between the outer benzene rings of the acridine systems, with centroid-centroid distances of 3.692?(1) and 3.754?(1)?Å, respectively. These pairs are further linked by additional ?-? inter-actions along the a-axis direction through one of the two outer benzene ring of neighboring mol-ecules, with a centroid-centroid distance of 3.642?(2)?Å.

| S-EPMC3569759 | biostudies-literature

2,2-Dimethyl-5-(2-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Project description:There are two unique mol-ecules in the asymmetric unit of the title compound, C(17)H(15)NO(4), which are linked into chains via inter-molecular N-H?O and C-H?O inter-actions; the chains are linked via weak C-H?O inter-actions, forming a parallel sheet structure. The molecule is approximately planar, with dihedral angles of 19.91?(4) and 11.06?(4)° between the naphthyl ring and the amino-methyl-ene group, and between the amino-methyl-ene unit and the planar part of the dioxane ring, respectively. The dioxane ring adopts a half-boat conformation, with the C atom between the dioxane O atoms 0.595?(8)?Å out of the plane through the remaining atoms. The mol-ecule has an intra-molecular N-H?O hydrogen bond which stabilizes the planar conformation.

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2,2-Dimethyl-5-(1-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Project description:The benzyl ring of the title compound, C(17)H(15)NO(4), is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4)°. The dioxane ring exhibits a half-boat conformation, with the C atom between the dioxane O atoms 0.571 (8) Å out of the plane through the remainder of the ring. An intra-molecular N-H⋯O hydrogen bond may contribute to the stabilization of the planar conformation of the mol-ecule. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds occur.

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1,5-Dimethyl-4-[(5-methyl-2-furyl)-methyl-ene-amino]-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(17)H(17)N(3)O(2), a derivative of 4-amino-anti-pyrine, the structure displays a trans configuration with respect to the imine C=N double bond. The pyrazoline ring is essentially planar and makes a dihedral angle of 55.80?(1)° with the phenyl ring.

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3,3'-Dimethyl-1,1'-methyl-ene-diimidazolium dibromide.

Project description:In the crystal structure of the title compound, C(9)H(14)N(4) (2+)·2Br(-), the cation and anions have crystallographic mirror symmetry, with the mirror plane running through the central CH(2) group for the cation. The latter are stacked along the a axis, forming channels hosting the bromide anions. The crystal packing is stabilized by C-H?Br hydrogen-bonding inter-actions, generating a two-dimensional network.

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