Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

An ortho-rhom-bic polymorph of 1-[(ferrocen-yl)(hydr-oxy)meth-yl]-1,2-dicarba-closo-dodecaborane.

ABSTRACT: An ortho-rhom-bic polymorph of the title compound, [Fe(C(5)H(5))(C(8)H(17)B(10)O)] or C(13)H(22)B(10)FeO, is described here in addition to the known monoclinic polymorph [Crundwell et al. (1999 ?). Acta Cryst.C55, IUC9900087]. The asymmetric unit contains four independent mol-ecules with C(cage)-C(cage) distances of 1.636?(16)-1.700?(16)?Å, and with the methyl-hydr-oxy groups disordered over two positions in each mol-ecule [occupancy ratios 0.80?(2):0.20?(2), 0.59?(3):0.41?(3), 0.60?(2):0.40?(2) and 0.793?(17):0.207?(17)].

SUBMITTER: Chen H

PROVIDER: S-EPMC2980021 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

An ortho-rhom-bic polymorph of 1-[(ferrocen-yl)(hydr-oxy)meth-yl]-1,2-dicarba-closo-dodecaborane.

Chen Hongwei H Miao Jinling J Zhu Peihua P Wang Daqi D Nie Yong Y

Acta crystallographica. Section E, Structure reports online 20091209 Pt 1

An ortho-rhom-bic polymorph of the title compound, [Fe(C(5)H(5))(C(8)H(17)B(10)O)] or C(13)H(22)B(10)FeO, is described here in addition to the known monoclinic polymorph [Crundwell et al. (1999 ▶). Acta Cryst.C55, IUC9900087]. The asymmetric unit contains four independent mol-ecules with C(cage)-C(cage) distances of 1.636 (16)-1.700 (16) Å, and with the methyl-hydr-oxy groups disordered over two positions in each mol-ecule [occupancy ratios 0.80 (2):0.20 (2), 0.59 (3):0.41 (3), 0.60 (2):0.40 (2) ...[more]

PMID: 21579923

Similar Datasets

An ortho-rhom-bic polymorph of 5-[(4-methyl-phen-yl)diazen-yl]salicylaldehyde.

Project description:The title compound, C(14)H(12)N(2)O(2), is an ortho-rhom-bic polymorph of the previously reported monoclinic form [Bakir et al. (2005 ?). Acta Cryst. E61, o1611-o1613]. The dihedral angle between the aromatic rings is 4.32?(13)°. The mol-ecular structures of the two polymorphs, including short intra-molecular O-H?O hydrogen bonds between the the hydr-oxy and keto groups, are quite similar but their crystal packings are distinct. Unlike the monoclinic form, in which centrosymmetrically related hydr-oxy and keto groups form {?H?O}(2) synthons via weak O-H?O contacts, leading to dimeric aggregates, in the ortho-rhom-bic form, the hydrogen bonding between these groups leads to the formation of supra-molecular chains orientated along the a axis.

| S-EPMC2971774 | biostudies-literature

Ortho-rhom-bic polymorph of 4-[(1H-benzimidazol-1-yl)meth-yl]benzoic acid.

Project description:We reported recently the first polymorph of the title compound [Kuai & Cheng (2011a ▶). Acta Cryst., E67, o2787]. A second polymorph of the title compound, C(15)H(12)N(2)O(2), was unexpectedly obtained by the hydro-thermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å. The benzimidazole and benzene rings are inclined at a dihedral angle of 79.00 (1)°. In the crystal, adjacent mol-ecules are connected through O-H⋯N hydrogen bonds into a one-dimensional chain along the [001] direction.

| S-EPMC3247413 | biostudies-literature

An ortho-rhom-bic polymorph of 1-benzyl-1H-benzimidazole.

Project description:The title compound, C(14)H(12)N(2), in contrast to the previously reported monoclinic polymorph [Lei et al. (2009 ?). Acta Cryst. E65, o2613], crystallizes in the ortho-rhom-bic crystal system. The dihedral angle between the imidazole ring system and the phenyl ring is 76.78?(16)°. Weak C-H?N and C-H?? inter-actions are observed in the crystal structure.

| S-EPMC2979212 | biostudies-literature

Ortho-rhom-bic polymorph of (6,7-dimeth-oxy-1,2,3,4-tetra-hydro-isoquinolin-1-yl)methanol.

Project description:The asymmetric unit of the title compound, C(12)H(17)NO(3), contains two mol-ecules with different conformations. It is a polymorph of the monoclinic form [El Antri et al. (2004 ?). Mol-ecules, 9, 650-657]; the samples were crystallized at different temperatures from the same solvent. In both structures, mol-ecules are linked by O-H?N hydrogen bonds, forming chains. The conformations of the chains and their packing differ markedly in the two polymorphs.

| S-EPMC3151966 | biostudies-literature

An ortho-rhom-bic polymorph of 2-(1,3-benzothia-zol-2-yl)-6-eth-oxy-phenol.

Project description:In the title mol-ecule, C(15)H(13)NO(2)S, an intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. The benzothia-zole ring system and the benzene ring form a dihedral angle of 8.9?(3)?Å. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming chains along the b axis. In addition, ?-? inter-actions [centroid-centroid distances = 3.772?(4) and 3.879?(4)?Å] are observed.

| S-EPMC3435656 | biostudies-literature

An ortho-rhom-bic polymorph of the ultraphosphate YP(5)O(14).

Project description:Single crystals of yttrium penta-phosphate(V), YP(5)O(14), were obtained by solid-state reaction. The ortho-rhom-bic title compound belongs to the family of ultraphosphates and is the second polymorph of this composition. It is isotypic with its Ho and Er analogues. The structure contains two bridging Q(2)-type PO(4) tetra-hedra and one branching Q(3)-type PO(4) tetra-hedron, leading to infinite ultraphosphate ribbons running along the a axis. The coordination polyhedron around the Y(3+) cation may be described as distorted bicapped trigonal-prismatic. The YO(8) polyhedra are isolated from each other. They are linked by corner-sharing to the O atoms of six Q(2)-type and of two Q(3)-type PO(4) tetra-hedra into a three-dimensional framework.

| S-EPMC2968816 | biostudies-literature

An ortho-rhom-bic polymorph of 3,4-di-amino-benzo-nitrile.

Project description:The title compound, C7H7N3, is an ortho-rhom-bic polymorph that crystallizes in the space group Pca21. The previously reported monoclinic form [Geiger & Parsons (2013 ?) Acta Cryst. E69, o452] crystallizes in the space group P21/c (Z = 4). In the crystal, two independent HN-H?N C hydrogen bonds link the mol-ecules into chains along the a-glide plane. Two further independent HN-H?NH2 hydrogen bonds join the chains, forming a three-dimensional network.

| S-EPMC3647854 | biostudies-other

5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph.

Project description:In the title ortho-rhom-bic polymorph (space group Iba2), C17H13N, the dihedral angle between the benzene rings is 55.99?(10)° and the azepine ring adopts a boat conformation. In the crystal, mol-ecules are linked by C-H?? contacts. The previously-reported polymorph [Yousuf et al. (2012 ?). Acta Cryst. E68, o1101] crystallizes in the monoclinic system (space group P21/c) with two mol-ecules in the asymmetric unit.

| S-EPMC3588308 | biostudies-other

An ortho-rhom-bic polymorph of cerium(III) ultraphosphate, CeP(5)O(14).

Project description:Cerium(III) ultraphosphate, CeP(5)O(14), was synthesized by a high-temperature solution reaction between CeO(2) and NH(4)H(2)PO(4) in a Ce-P molar ratio of 1:12. Colourless crystals of the ortho-rhom-bic polymorph were obtained by cooling the melt of the mixture. The structure contains (P(5)O(14))(3-) anionic ribbons linked by distorted CeO(8) polyhedra.

| S-EPMC2959646 | biostudies-literature

A second ortho-rhom-bic polymorph of 4-(Pyridin-4-ylmethoxy)phenol [corrected].

Project description:The crystal structure of the title compound, C(12)H(11)NO(2), represents a new ortho-rhom-bic polymorph II of the previously reported ortho-rhom-bic form I [Zhang et al. (2009 ▶) Acta Cryst. E65, o3160]. In polymorph II, the six-membered rings form a dihedral angle of 13.8 (1)° [71.6 (1)° in I], and O-H⋯N hydrogen bonds link mol-ecules into chains along [100], whereas the crystal structure of I features hydrogen-bonded centrosymmetric dimers.

| S-EPMC3344498 | 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