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2-Eth-oxy-ethyl (Z)-2-cyano-3-[(N-phenyl-carbamo-yl)amino]-prop-2-enoate.

ABSTRACT: The crystal structure of the title compound, C(15)H(17)N(3)O(4), is stabilized by inter-molecular N-H⋯N hydrogen bonds. An intra-molecular N-H⋯O hydrogen bond also occurs.

SUBMITTER: Zhong S

PROVIDER: S-EPMC3274966 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-Ethyl 2-cyano-3-(2,4-dimeth-oxy-phen-yl)prop-2-enoate.

Project description:The C=C bond in the title compound, C(14)H(15)NO(4), is in an E configuration. With the exception of the methyl C atoms, the non-H atoms of the mol-ecule all lie approximately on a plane (r.m.s. deviation = 0.096?Å). ?-? stacking is observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7924?(8)?Å.

| S-EPMC3247569 | biostudies-literature

Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]-prop-2-enoate.

Project description:The title compound, C16H16N4O2, crystallizes with two mol-ecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799?(2):0.201?(2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two mol-ecules, as indicated by the syn N-N-Car-Car (ar = aromatic) torsion angles of 39.7?(2) and -36.9?(2)°. Each mol-ecule features an intra-molecular N-H?O hydrogen bond, which closes an S(6) ring. In the crystal, C-H?O and C-H?N inter-actions direct the packing into a layered structure parallel to (110).

| S-EPMC4257344 | biostudies-literature

Ethyl (Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)prop-2-enoate.

Project description:In the title compound, C(20)H(18)N(2)O(2), weak inter-molecular C-H⋯O and C-H⋯N inter-actions generate a chain that runs parallel to the b axis and incorporates C(7) and R(2) (2)(15) graph-set motifs. The supra-molecular aggregation is completed by the presence of weak C-H⋯π inter-actions.

| S-EPMC2977834 | biostudies-literature

Ethyl (Z)-3-(4-methyl-anilino)-2-[(4-methyl-phen-yl)carbamo-yl]prop-2-enoate.

Project description:The title compound, C(20)H(22)N(2)O(3), is a secondary amine featuring an amide and an ester functionality in connection with a Michael system. The conformation about the C=C bond is E. Intra-molecular N-H?O hydrogen bonds occur. In the crystal, C-H?O contacts connect the mol-ecules into chains along the b-axis direction.

| S-EPMC3515303 | biostudies-literature

Cholest-5-en-3β-yl 3-(4-eth-oxy-phen-yl)prop-2-enoate.

Project description:In the asymmetric unit of the title compound, C(38)H(56)O(3), there are two symmetry-independent mol-ecules that differ in the rotation angle along the C-O bond between the 3-(4-eth-oxy-phen-yl)prop-2-enoate and cholest-5-en-3β-yl groups by 169.3 (3)°. In both mol-ecules, steroid ring B adopts a half-chair conformation, rings A and C adopt a chair conformation and ring D exists in an envelope form. The two symmetry-independent mol-ecules pack in the crystal into separate layers parallel to (-102) with their long axis parallel to the [201] direction. Short inter-molecular C-H⋯O and C-H⋯π contacts are observed.

| S-EPMC3393328 | biostudies-literature

Methyl (2Z)-3-[(4-nitro-phen-yl)carbamo-yl]prop-2-enoate.

Project description:In the title compound, C(11)H(10)N(2)O(5), the amide group is nearly coplanar and the ester group approximately perpendicular to the vinyl C-HC=CH-C group [dihedral angles of 5.0?(2) and 88.89?(5)°, respectively]. This results in a short intra-molecular O =C?O=C contact of 2.7201?(17)?Å between the amide O atom and the ester carbonyl C atom. The prop-2-enamide fragment and the nitro group make dihedral angles of 20.42?(6) and 13.54?(17)°, respectively, with the benzene ring. An intra-molecular C-H?O inter-action between the benzene ring and the amide group generates an S(6) ring motif. Inter-molecular C-H?O and N-H?O hydrogen bonds complete R(2) (2)(11) ring motifs and join mol-ecules into [100] chains.

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[2-(3,4-Di-meth-oxy-phen-yl)eth-yl](3-{N-[2-(3,4-di-meth-oxy-phen-yl)eth-yl]carbamo-yl}prop-yl)aza-nium chloride dihydrate.

Project description:The asymmetric unit of the title hydrated salt, C24H35N2O5 (+)·Cl(-)·2H2O, contains one organic cation that has its protonation site at the amine function, one chloride anion and two lattice water mol-ecules. In the crystal, one pair of lattice water mol-ecules and two chloride anions form a four-membered centrosymmetric hydrogen-bond cycle. In addition, O-H⋯O, N-H⋯O and N-H⋯Cl hydrogen bonds involving the N-H groups, the water mol-ecules and the C=O group are observed. As a result, a hydrogen-bonded layer parallel to (100) is formed. The thickness of such a layer corresponds to the length of the a axis [21.977 (3) Å].

| S-EPMC3998369 | biostudies-literature

rac-Ethyl (2Z)-3-{2-[(Z)-4-eth-oxy-4-oxobut-2-en-2-yl-amino]-cyclo-hexyl-amino}-but-2-enoate.

Project description:The asymmetric unit of the title compound, C(18)H(30)N(2)O(4), contains two independent mol-ecules. In each mol-ecule, the cyclo-hexane ring adopts a chair conformation with equatorial orientation of the substituents, and the conformation is stabilized by two intra-molecular N-H⋯O hydrogen bonds, forming rings of S(6) graph-set motif. One eth-oxy group and one ethyl group are disordered over two sets of sites with refined occupancy ratios of 0.704 (2):0.296 (2) and 0.505 (3):0.495 (3), respectively. In the crystal, a weak inter-molecular C-H⋯O hydrogen inter-action is observed, involving the O atom of the major component of the disordered eth-oxy group.

| S-EPMC3089325 | biostudies-literature

Methyl (2E)-2-cyano-3-(dimethyl-amino)-prop-2-enoate.

Project description:In the title compound, C(7)H(10)N(2)O(2), the dimethyl-amino group is twisted slightly relative to the acrylate fragment, forming a dihedral angle of 11.6?(1)°. In the crystal, molecules are linked via pairs of bifurcated C-H/H?O hydrogen bonds, forming inversion dimers, which are further connected by C-H?N hydrogen bonds into chains along the a-axis direction.

| S-EPMC3515226 | biostudies-literature

(Z)-Ethyl 2-(4-chloro-phen-yl)-3-[(2,4-difluoro-phen-yl)amino]-prop-2-enoate.

Project description:In the title compound, C(17)H(14)ClF(2)NO(2), the amino-acrylo-yloxy group makes dihedral angles of 47.55?(11)° with the 4-chloro-phenyl group and 8.74?(12)° with the difluoro-phenyl group; the dihedral angle between the rings is 52.32?(11)°. The structure of the title compound reveals a Z configuration with respect to the C=C double bond in the amino-acrylate fragment. A bifurcated intramolecular N-H?(O,F) hydrogen bond occurs. In the crystal, molecules are linked into chains by C-H?O hydrogen bonds.

| S-EPMC3009196 | biostudies-literature

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