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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

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

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N-(4-Meth-oxy-benz-yl)phthalimide: a triclinic polymorph.

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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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A second triclinic polymorph of (1-ammonio-1-phosphono-eth-yl)phospho-nate.

Project description:The asymmetric unit of the second polymorph of the title compound, C(2)H(9)NO(6)P(2), contains one mol-ecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phospho-nic acid groups is deprotonated. Bond lengths and angles are similar in both polymorphs. Besides the differences in cell parameters, the most significant structural difference between this structure and that of the first polymorph [Dudko, Bon, Kozachkova, Tsarik & Pekhno (2008 ▶), Ukr. Khim. Zh.74, 104-106] is the presence of strong symmetric hydrogen bonds between neighbouring phospho-nate groups. H atoms involved in these hydrogen bonds are located at inversion centres and O⋯O distances are observed in the range 2.458 (5)-2.523 (5) Å. These bonds and additional O-H⋯O and N-H⋯O hydrogen bonds inter-link the mol-ecules, giving a three-dimensional supromolecular network.

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(E)-2-[2-(2-Nitro-phen-yl)ethen-yl]-8-quinolyl acetate.

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