Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

The monoclinic polymorph of dimethyl-arsinic acid.

ABSTRACT: The title compound, C(2)H(7)AsO(2) or [As(CH(3))(2)O(OH)], is an organic derivative of arsinic acid, and is also known by its trivial name cacodylic acid. In contrast to the first polymorph (triclinic, space group P[Formula: see text], Z = 2), the current study revealed monoclinic symmetry (space group C2/c, Z = 8) for the second polymorph. The configuration of the tetra-hedral mol-ecule shows approximate C(s) symmetry. Strong O-H?O hydrogen bonds connect the mol-ecules to infinite zigzag chains along [010], which are further connected by weak inter-molecular C-H?O contacts into a three-dimensional network.

SUBMITTER: Betz R

PROVIDER: S-EPMC3212109 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

The monoclinic polymorph of dimethyl-arsinic acid.

Betz Richard R McCleland Cedric C Marchand Harold H

Acta crystallographica. Section E, Structure reports online 20110702 Pt 8

The title compound, C(2)H(7)AsO(2) or [As(CH(3))(2)O(OH)], is an organic derivative of arsinic acid, and is also known by its trivial name cacodylic acid. In contrast to the first polymorph (triclinic, space group P[Formula: see text], Z = 2), the current study revealed monoclinic symmetry (space group C2/c, Z = 8) for the second polymorph. The configuration of the tetra-hedral mol-ecule shows approximate C(s) symmetry. Strong O-H⋯O hydrogen bonds connect the mol-ecules to infinite zigzag chains ...[more]

PMID: 22090811

Similar Datasets

A second monoclinic polymorph of 2,4-dimethyl-anilinium chloride.

Project description:A second monoclinic polymorph of 2,4-dimethyl-anilinium chloride, C(8)H(12)N(+)·Cl(-), (I), is reported. The unit-cell dimensions differ from those of the first reported monoclinic form, (II) [Yao (2010 ▶). Acta Cryst. E66, o1563]. Nevertheless, both compounds crystallize in the monoclinic space group P2(1)/n. As in (II), the protonated amine group in (I) acts as a hydrogen-bond donor to the chloride ion, forming three N-H⋯Cl hydrogen bonds. The result is a two-dimensional network in the ac plane. The difference in the hydrogen-bond pattern is that in (I) only 12-membered rings are formed whereas in (II), eight-membered and 16-membered rings are formed.

| S-EPMC3238857 | biostudies-literature

Monoclinic polymorph of chlorido-(dimethyl sulfoxide-κO)tri-phenyl-tin(IV).

Project description:The crystal structure of the title tin complex, [Sn(C6H5)3Cl(C2H6OS)], (I), has been reported with one mol-ecule in the asymmetric unit in an ortho-rhom-bic cell [Kumar et al. (2009 ▸). Acta Cryst. E65, m1602-m1603]. While using SnPh3Cl as a starting material for a reaction for which the products were recrystallized over a very long time (six months) from dimethyl sulfoxide (DMSO), a new polymorph was obtained for (I), with two independent mol-ecules in the asymmetric unit of a monoclinic cell. The coordination geometry of the Sn centres remains unchanged, with the Cl- ion and the DMSO mol-ecule in the apical positions and the phenyl C atoms in the equatorial positions of a trigonal bipyramid. The main difference between the polymorphs is the relative orientation of the phenyl rings in the equatorial plane, reflecting a degree of free rotation of these groups about their Sn-C bonds. In the crystal, mol-ecules are linked into [010] chains mediated by weak C-H⋯O inter-actions.

| S-EPMC5956328 | biostudies-literature

Bis(1,3-dimethyl-1H-imidazolium) hexa-fluoro-silicate: the second monoclinic polymorph.

Project description:The title compound, 2C5H9N2 (+)·SiF6 (2-), (I), crystallized as a new polymorph, different from the previously reported one (Ia) [Light et al. (2007 ?) private communication (refcode: NIQFAV). CCDC, Cambridge, England]. The symmetry [space groups P21/n for (I) and C2/c for(Ia)] and crystal packing patterns are markedly different for this pair of polymorphs. In (I), all imidazolium cations in the lattice are nearly parallel to each other, whereas a herringbone arrangement can be found in (Ia). In (I), each SiF6 (2-) dianion forms four short C-H?F contacts with adjacent C5H9N2 (+) cations, resulting in the formation of layers parallel to the ac plane. In (Ia), the C-H?F contacts are generally longer and result in the formation of layers along the bc plane.

| S-EPMC3793725 | biostudies-literature

A new monoclinic polymorph of dichlorido-tetra-kis(dimethyl sulfoxide)-ruthenium(II).

Project description:The title compound, cis,fac-dichloridotetra-kis(dimethyl sulfoxide)-κ(3)S,κO-ruthenium(II), [RuCl(2)(C(2)H(6)OS)(4)], was obtained from newly synthesized ruthenium complexes of 3-amino-2-chloro-pyridine. The Ru atom has a distorted octa-hedral coordination with two cis-oriented chloride ligands and four dimethyl sulfoxide ligands. Three of the sulfoxide ligands are S-bonded in a fac configuration, while the fourth is O-bonded. The title compound represents a new, and fourth, polymorph of the complex. Two other monoclinic forms and an ortho-rhom-bic modification have been reported previously.

| S-EPMC2961945 | biostudies-literature

A monoclinic polymorph of 4,4'-dichloro-2,2'-(piperazine-1,4-diyl-dimethyl-ene)diphenol.

Project description:The titile compound, C(18)H(20)Cl(2)N(2)O(2), crystallizes as a monoclinic form in the space group P2(1)/n, with Z' = 1/2. It is polymorphic with the previously reported orthorhombic form [Kubono, Tsuno, Tani & Yokoi (2008). Acta Cryst. E64, o2309]. In the present polymorph, the mol-ecule lies on a crystallographic inversion centre at the piperazine ring centroid. An intra-molecular O-H⋯N hydrogen bond forms an S(6) ring motif. Inter-molecular C-H⋯O hydrogen bonding generates a C(5) chain motif propagating along the b axis, forming sheets parallel to (02) with a first-level graph set S(6)C(5)R(6) (6)(34).

| S-EPMC2959908 | biostudies-literature

2-Pyridone: monoclinic polymorph.

Project description:The asymmetric unit in the title compound, C(5)H(5)NO, comprises two independent but virtually identical mol-ecules of 2-pyridone, and represents a monoclinic polymorph of the previously reported ortho-rhom-bic (P2(1)2(1)2(1)) form [Penfold (1953 ?). Acta Cryst.6, 591-600; Ohms et al. (1984 ?). Z. Kristallogr.169, 185-200; Yang & Craven (1998 ?). Acta Cryst. B54, 912-920]. The independent mol-ecules are linked into supra-molecular dimers via eight-membered {?HNC(O)}(2) amide synthons in contrast to the helical supra-molecular chains, mediated by {?HNC(O)} links, found in the ortho-rhom-bic form.

| S-EPMC2972078 | biostudies-literature

Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid.

Project description:The title compound, C(6)H(6)N(2)O(2)S, is a new polymorphic form of 2-(pyrimidin-2-ylsulfan-yl)acetic acid. Unlike the previous orthorhombic polymorph [Pan & Chen (2009 ▶) Acta Cryst. E65, o652], the mol-ecules are not planar: the aromatic ring makes an angle of 80.67 (17)° with the carboxyl plane. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds into chains along [02].

| S-EPMC3051637 | biostudies-literature

Monoclinic polymorph of 2,5-bis[4-(dimethyl-amino)-styr-yl]-3,6-dimethyl-pyrazine.

Project description:The title compound, C(26)H(30)N(4), was prepared by condensation of tetra-methyl-pyrazine and dimethyl-amino-benzaldehyde and crystallizes from chloro-form/methanol in two different forms. Block-shaped crystals belong to the monoclinic crystal system and plates to the triclinic system. The two crystal forms differ in the arrangement of the centrosymmetric mol-ecules, which have nearly identical geometries. In the monoclinic crystals reported here, planar mol-ecules [maximum deviation = 0.062?(2)?Å], with a transoid arrangement of the (E)-styryl units and completely planarized dimethylamino groups [sum of the C-N bond angles = 359.9?(2)°], form layers connected via H-?-stacking. The dihedral angle between the central and pendant rings is 1.30?(8)°. The triclinic polymorph contains two half molecules, both completed by crystallographic inversion symmetry.

| S-EPMC3099850 | biostudies-other

A third monoclinic polymorph of 3,4,5-trihy-droxy-benzoic acid monohydrate.

Project description:The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ?) [Acta Cryst. C56, 594-595] and Okabe et al. (2001 ?) [Acta Cryst. E57, o764-o766]. The gallic acid mol-ecule is essentially planar (r.m.s. deviation = 0.550?Å). An intra-molecular O-H?O hydrogen bond occurs in the gallic acid mol-ecule, which is linked to the water mol-ecule by a further O-H?O hydrogen bond. In the crystal, the components are linked by O-H?O hydrogen bonds. The hydrogen-bonding pattern differs from those reported for the previous polymorphs.

| S-EPMC3120380 | biostudies-literature

A monoclinic polymorph of theophylline.

Project description:A monoclinic polymorph of theophylline, C(7)H(8)N(4)O(2), has been obtained from a chloro-form/methanol mixture by evaporation under ambient conditions. The new polymorph crystallizes with two mol-ecules in the asymmetric unit. The structure features inter-molecular N-H⋯O hydrogen bonds, resulting in the formation of dimers between two crystallographically different mol-ecules; each mol-ecule acts as both donor and acceptor.

| S-EPMC3239002 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data