Dimethyl 2-(amino-methyl-ene)malonate.
Ontology highlight
ABSTRACT:
SUBMITTER: Grof M
PROVIDER: S-EPMC2961616 | biostudies-literature | 2008 May
REPOSITORIES: biostudies-literature
Similar Datasets
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.
| S-EPMC2961545 | biostudies-literature
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.
| S-EPMC2969778 | biostudies-literature
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.
| S-EPMC2960636 | biostudies-literature
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].
| S-EPMC3515190 | biostudies-literature
Project description:The title compond, C(26)H(44)N(2)O, is an steroidal alkaloid isolated from the medicinally important plant Sarcococca saligna. The mol-ecule consists of four fused rings (A-D), having chair, half-chair, chair and envelope conformations, respectively. The dimethyl-amino group is axially oriented on ring A, whereas the (N-methyl-acetamido)-ethyl group is attached equatorially on ring D. The crystal structure is stabilized only by van der Waals forces.
| S-EPMC3247332 | biostudies-literature
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.
| S-EPMC3685070 | biostudies-literature
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
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.
| S-EPMC2970245 | biostudies-literature
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.
| S-EPMC2969915 | biostudies-literature
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.
| S-EPMC2961514 | biostudies-literature