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Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxyl-ate.

ABSTRACT: The molecule of the title compound, C(10)H(13)NO(3), is approximately planar. A network of N-H?O and weak C-H?O hydrogen bonds helps to consolidate the crystal structure.

SUBMITTER: Kang SS

PROVIDER: S-EPMC2961598 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxyl-ate.

Kang Si-Shun SS Li Hai-Lin HL Zeng Hai-Su HS Wang Hai-Bo HB

Acta crystallographica. Section E, Structure reports online 20080521 Pt 6

The molecule of the title compound, C(10)H(13)NO(3), is approximately planar. A network of N-H⋯O and weak C-H⋯O hydrogen bonds helps to consolidate the crystal structure. ...[more]

PMID: 21202636

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Ethyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxyl-ate.

Project description:The mol-ecule of the title compound, C(10)H(13)NO(3), is approximately planar (maximum deviation 0.1424?Å). In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H?O hydrogen bonds, and the dimeric units are linked by non-classical C-H?O hydrogen bonds, forming a layered structure.

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Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxyl-ate.

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Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxyl-ate.

Project description:The non-H atoms of the title compound, C(9)H(13)NO(2), are almost coplanar (r.m.s. deviation = 0.0358 Å). Weak inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the b axis with graph-set motif C(5). The chains are further linked into a three-dimensional network by C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

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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.

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Ethyl 1,3-dimethyl-1H-indole-2-carboxyl-ate.

Project description:In the title compound, C(13)H(15)NO(2), the plane of the indole ring forms a dihedral angle of 5.26 (6)° with the ester group and the ethyl side-chain C atoms. The crystal packing is stabilized by weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

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Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Project description:In the title mol-ecule, C(16)H(25)NO(4), the non-H atoms, except for the two tert-butyl groups, are roughly planar (r.m.s. deviation of the non-H atoms = 0.086 Å). In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds, forming R(2) (2)(10) ring motifs.

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Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinyl-idene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxyl-ate dihydrate.

Project description:In the title compound, C(16)H(18)N(4)O(3)·2H(2)O, the dihedral angle between the pyrrole and pyridine rings in the hydrazone mol-ecule is 7.12?(3)°. In the crystal structure, inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds link the hydrazone and water mol-ecules into double layers parallel to (101). The crystal packing exhibits weak ?-? inter-actions between the pyrrole and pyridine rings of neighbouring hydrazone mol-ecules [centroid-centroid distance = 3.777?(3)?Å]. The crystal studied was a non-merohedral twin, the refined ratio of twin domains being 0.73?(3):0.27?(3).

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Ethyl 5-cyano-4-[2-(2,4-dichloro-phen-oxy)acetamido]-1-phenyl-1H-pyrrole-3-carboxyl-ate.

Project description:In the title compound, C(22)H(17)Cl(2)N(3)O(4), the pyrrole ring and the 2,4-dichloro-phenyl group form a dihedral angle of 8.14?(13)°; the phenyl ring is twisted with respect to the pyrrole ring, forming a dihedral angle of 60.77?(14)°. The C=O bond length is 1.213?(3)?Å, indicating that the mol-ecule is in the keto form, associated with a -CONH- group, and the amide group adopts the usual trans conformation. The mol-ecule is stabilized by an intra-molecular N-H?O hydrogen-bonding inter-action. In the crystal, the stacked mol-ecules exhibit inter-molecular C-H?O and C-H?N hydrogen-bonding inter-actions.

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2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxyl-ate.

Project description:The title pyrrole derivative compound, C(12)H(17)NO(4), was synthesized from methyl 3-oxopenta-noate by a Knorr-type reaction and contains a pyrrole ring to which two diagonal alk-oxy-carbonyl groups and two diagonal alkyl substituents are attached. The methyl-carbonyl and ethyl-carbonyl substituents are approximately co-planar with the pyrrole ring, making dihedral angles of 5.64?(2) and 3.44?(1)°, respectively. In the crystal, adjacent mol-ecules are assembled by pairs of N-H?O hydrogen bonds into dimers in a head-to-head mode.

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2-(N-Phenyl-methane-sulfonamido)-ethyl 1H-pyrrole-2-carboxyl-ate.

Project description:In the title compound, C(14)H(16)N(2)O(4)S, the eth-oxy-carbonyl group is nearly planar, with an r.m.s. deviation of 0.0067 Å, and is almost coplanar with the pyrrole ring [dihedral angle = 5.81 (15)°], whereas it is inclined at a dihedral angle of 61.90 (13)° to the phenyl ring. The dihedral angle between the pyrrole and phenyl rings is 56.15 (13)°. In the crystal, centrosymmetrically related mol-ecules are linked into dimers by pairs of N-H⋯O hydrogen bonds, forming rings of R(2) (2)(10) graph-set motif. The dimers are further connected by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming layers parallel to the bc plane.

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