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A triclinic polymorph of (E)-2-(2-nitro-ethen-yl)furan.

ABSTRACT: The title compound, C(6)H(5)NO(3), crystallizes in the triclinic system with six independent mol-ecules in the asymmetric unit. In a previous study, the structure of the title compound was determined in the monoclinic P2(1)/n space group at 100?K [Valerga et al. (2009 ?). Acta Cryst. E65, o1979]. All six independent mol-ecules display an E configuration about the C=C double bond, with the dihedral angles between the planes of the furan rings and the nitro-alkenyl groups ranging from 0.61?(7) to 5.03?(7)°. The crystal structure is stabilized by inter-molecular C-H?O hydrogen-bonding inter-actions.

SUBMITTER: Li L

PROVIDER: S-EPMC3007394 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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A triclinic polymorph of (E)-2-(2-nitro-ethen-yl)furan.

Li Lin L Yu Bo B

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

The title compound, C(6)H(5)NO(3), crystallizes in the triclinic system with six independent mol-ecules in the asymmetric unit. In a previous study, the structure of the title compound was determined in the monoclinic P2(1)/n space group at 100 K [Valerga et al. (2009 ▶). Acta Cryst. E65, o1979]. All six independent mol-ecules display an E configuration about the C=C double bond, with the dihedral angles between the planes of the furan rings and the nitro-alkenyl groups ranging from 0.61 (7) to ...[more]

PMID: 21588246

Similar Datasets

(E)-2-(2-Nitro-ethen-yl)furan.

Project description:The title compound, C(6)H(5)NO(3), was synthesized via condensation of furfural with nitro-methane in the presence of isobutyl-amine. The compound crystallizes exclusively as the E isomer. The angle between the mean planes of the furan ring and the nitro-alkenyl group is 1.3?(2)°.

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A triclinic polymorph of 3-nitro-anilinium chloride.

Project description:The asymmetric unit of the title compound, C(6)H(7)N(2)O(2) (+)·Cl(-), contains two independent ion pairs. A monoclinic form of the title compound with only one ion pair in the asymmetric unit has been reported previously [Ploug-Sørensen & Andersen (1986). Acta Cryst. C42, 1813-1815]. In the crystal of the title compound, the components are linked into layers parallel to (001) by inter-molecular N-H?Cl hydrogen bonds, with alternating hydro-philic and hydro-phobic regions.

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Project description:The asymmetric unit of the triclinic polymorph of the title compound, C21H25N3O3, consists of two mol-ecules, whereas for the monoclinic polymorph Z' = 1 [Fun et al. (2009 ▶). Acta Cryst. E65, o445]. The two mol-ecules exhibit an E configuration with respect to the C=N bond. The mol-ecules are linked into dimers by N-H⋯O and C-H⋯O hydrogen bonds forming R 2 (2)(8) ring motifs. In addition, π-π inter-actions occur between nitro-phenyl groups [minimum centroid-centroid distance 3.940 (2) Å], stacking the molecules along the ac plane.

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(E)-1-Nitro-4-(2-nitro-ethen-yl)benzene.

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1,3-Bis(3-methyl-phen-yl)thio-urea: triclinic polymorph.

Project description:The title compound, C(15)H(16)N(2)S, crystallizes with two molecules in the asymmetric unit. The crystallographic behaviour of the two isomers is different. The mol-ecules are dimerized, forming an R(2) (2)(8) ring motif due to inter-molecular N-H?S hydrogen bonds. C-H?S hydrogen bonds form R(2) (2)(12) ring motifs. In one molecule, the dihedral angle between the benzene rings is 62.54?(6)°, whereas in the other it is 79.54?(6)°. The H atoms of one of the methyl groups in each molecule are disordered over two sites, with occupancy ratios of 0.52?(3):0.48?(3) and 0.60?(3):0.40?(3).

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Project description:THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(4-meth-oxy-benz-yl)-isoindoline-1,3-dione], C(16)H(13)NO(3), represents a triclinic polymorph of the previously reported monoclinic form [Warzecha et al. (2006 ▶). Acta Cryst. E62, o5450-o5452]. The reaction of potassium phthalimide and 4-meth-oxy-benzyl chloride in dimethyl-formamide gave platelet-shaped crystals; these were harvested and then needle-shaped crystals were deposited. The platelet- and needle-shaped crystals correspond to the triclinic and monoclinic forms, respectively. The N-C-C(ar)-C(ar) torsion angles between the ring systems are -82.66 (14) and 95.28 (13)°, resulting in a roof-shaped conformation. In the crystal, mol-ecules are accumulated by offset face-face π-π inter-actions between phthalimide units [centroid-centroid distances = 3.640 (2) and 3.651 (2) Å], with inter-planar distances of 3.321 (1) and 3.435 (1) Å. Weak inter-molecular C(ar-yl)-H⋯O=C and C(alk-yl)-H⋯O=C contacts form C(8) and C(11) infinite chain motifs, respectively.

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(E)-1-(2-Nitro-ethen-yl)naphthalene.

Project description:The title mol-ecule, C(12)H(9)NO(2), adopts a trans configuration about the olefinic double bond. The dihedral angle between the naphthalene ring system (r.m.s. deviation = 0.012?Å) and the nitro-ethenyl group (r.m.s. deviation = 0.032?Å) is 12.66?(5)°. The mol-ecules are linked into a two-dimensional network parallel to the bc plane by C-H?O hydrogen bonds. The substituted benzene rings in adjacent networks are stacked with a centroid-centroid distance of 3.6337?(11)?Å, indicating ?-? inter-actions.

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Calcium acamprosate: a triclinic polymorph.

Project description:The title compound, poly[bis-(?(3)-4-acetamido-propane-sulfon-ato)-calcium], [Ca(C(5)H(10)NO(4)S)(2)](n), is a triclinic polymorph of the previously reported monoclinic structure [Toffoli et al. (1988 ?). Acta Cryst. C44, 1493-1494]. The triclinic modification was found to have an all-trans configuration of the acetamido-propane chain, in contrast with the monoclinic polymorph which shows an angle of 74.66?(8)° between the S-C-C-C chain plane and that of the amide group. The Ca(2+) cation is situated on an inversion centre and is hexa-coordinated by six O atoms belonging to different anions in a distorted octa-hedral geometry. This arrangement leads to a layered structure parallel to (011). The layers are held together by N-H?O hydrogen bonds and by short C-H?O inter-actions, both involving the sulfonate O atoms not coordinated to the Ca(2+) cations. The structure was determined from a crystal twinned by non-merohedry [twin law ([Formula: see text]00, 0[Formula: see text]0, -0.335 -0.85 1), with a fractional contribution of the minor twin domain of 46.7?(1)%].

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1-Bromo-2-[(E)-2-nitro-ethen-yl]benzene.

Project description:In the title compound, C(8)H(6)BrNO(2), the dihedral angle between the planes of the benzene ring and the nitro group is 22.99 (12)°. In the crystal, inversion dimers associated by pairs of short Br⋯O contacts [3.2319 (17) Å] occur.

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Triclinic polymorph of bis-(triphenyl-sil-yl) oxide toluene disolvate.

Project description:A new polymorph of the title compound, C(36)H(30)OSi(2)·2C(7)H(8), is reported, which is triclinic (P-1) instead of possessing the previously reported rhombohedral symmetry [Hönle et al. (1990). Acta Cryst. C46, 1982-1984]. Each of the -SiPh(3) units are related by the inversion center. The Si-O-Si moiety is linear with the O atom sitting on an inversion center, and the O-Si-(toluene ring centroid) angle is 3.69?(15)°. Each toluene mol-ecule is 5.622?(2)?Å from the Si atom and has its closest contacts with the phenyl rings outside of the van der Waals radii.

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