Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wang GT

PROVIDER: S-EPMC3344498 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Guang-Tu GT Zhang Yong Y Yang Jin-Xin JX Zou Ping P Hou Guang-Feng GF

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

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. ...[more]

PMID: 22590260

Similar Datasets

A second ortho-rhom-bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine.

Project description:The present crystal structure is the second ortho-rhom-bic polymorph of the title compound, C(14)H(12)N(4). Whereas the structure in Pnma with Z' = 0.5 is already known [Ikemi et al. (2002 ▶). Heterocycl. Commun.8, 439-442], the present structure crystallizes in the space group Pbca with Z' = 1. The dihedral angle between the two phenyl rings is 23.5 (4)° and the dihedral angles between central ring and the phenyl rings are 41.0 (3) and 26.3 (5)°. In the 4-amino-1,2,4-trizole fragment, the C=N distances are 1.321 (3) and 1.315 (3) Å, which are much shorter than the C-N distances of 1.367 (3) and 1.357 (3) Å. In the crystal, adjacent mol-ecules are linked by N-H⋯N hydrogen bonds.

| S-EPMC2970008 | 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 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

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

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

An ortho-rhom-bic polymorph of pyrazino-[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile.

Project description:The title compound, C(16)H(6)N(6), is a polymorph of the previously reported structure [Kozlov & Goldberg (2008 ▶). Acta Cryst. C64, o498-o501]. Unlike the previously reported monoclinic polymorph (space group P2(1)/c, Z = 8), the title compound reveals ortho-rhom-bic symmetry (space group Pnma, Z = 4). The mol-ecule shows crystallographic mirror symmetry, while the previously reported structure exhibits two independent mol-ecules per asymmetric unit. In the title compound, adjacent mol-ecules are essentially parallel along the c axis and tend to be vertical along the b axis with dihedral angles of 72.02 (6)°. However, in the reported polymorph, the entire crystal structure shows an anti-parallel arrangement of adjacent columns related by inversion centers and the two independent mol-ecules are nearly parallel with a dihedral angle of 2.48 (6)°.

| S-EPMC3238907 | biostudies-literature

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

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

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