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1,3-Dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium formate.

ABSTRACT: The title compound, C(4)H(12)NO(3) (+)·CHO(2) (-), was obtained from 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium acetate and ethyl formate. In the crystal, the cations and anions are held together by inter-molecular N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Ren GB

PROVIDER: S-EPMC3089189 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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1,3-Dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium formate.

Ren Guo-Bin GB Qi Ming-Hui MH Chen Jin-Yao JY Meng Kun-Yan KY Zhong Jia-Liang JL

Acta crystallographica. Section E, Structure reports online 20110429 Pt 5

The title compound, C(4)H(12)NO(3) (+)·CHO(2) (-), was obtained from 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium acetate and ethyl formate. In the crystal, the cations and anions are held together by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. ...[more]

PMID: 21754551

Similar Datasets

A new polymorph of 1-({[1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-yl]iminio}meth-yl)naphthalen-2-olate.

Project description:The title compound, C15H17NO4, containing two mol-ecules in the asymmetric unit is a polymorph of the crystal structure published by Martínez et al. [(2011). Eur. J. Org. Chem. pp. 3137-3145] which at 120 K is monoclinic with one mol-ecule in the asymmetric unit. Both mol-ecules in the title compound are in the trans form. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect mol-ecules, forming a two-dimensional network parallel to (001).

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Crystal structure of 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium 2-(4-iso-butyl-phen-yl)propano-ate: a simple organic salt of racemic ibuprofen.

Project description:In the title organic salt of ibuprofen with trometamol, C4H12NO3 (+)·C13H17O2 (-), the carb-oxy-lic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked via N-H⋯O hydrogen bonds, forming chains along [001]. To these chains are attached the ibuprofen anions via O-H⋯O and N-H⋯O hydrogen bonds. The chains are linked via further N-H⋯O and O-H⋯O hydrogen bonds, forming sheets parallel to (100). Two C atoms of the propano-ate substituent in the ibuprofen anion are disordered over two sets of sites and were refined with a fixed occupancy ratio of 0.7:0.3.

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Crystal structures of the 1:1 salts of 2-amino-4-nitro-benzoate with each of (2-hy-droxy-eth-yl)di-methyl-aza-nium, tert-but-yl(2-hy-droxy-eth-yl)aza-nium and 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium.

Project description:The crystal and mol-ecular structures of the title mol-ecular salts, C4H12NO+·C7H5N2O4 -, (I), C6H16NO+·C7H5N2O4 -, (II), and C4H12NO3 +·C7H5N2O4 -, (III), are described. The common feature of these salts is the presence of the 2-amino-4-nitro-benzoate anion, which exhibit non-chemically significant variations in the conformational relationships between the carboxyl-ate and nitro groups, and between these and the benzene rings they are connected to. The number of ammonium-N-H H atoms in the cations increases from one to three in (I) to (III), respectively, and this variation significantly influences the supra-molecular aggregation patterns in the respective crystals. Thus, a linear supra-molecular chain along [100] sustained by charge-assisted tertiary-ammonium-N-H?O(carboxyl-ate), hy-droxy-O-H?O(carboxyl-ate) and amino-N-H?O(carboxyl-ate) hydrogen-bonds is apparent in the crystal of (I). Chains are connected into a three-dimensional architecture by methyl-C-H?O(hy-droxy) and ?-? inter-actions, the latter between benzene rings [inter-centroid separation = 3.5796?(10)?Å]. In the crystal of (II), a supra-molecular tube propagating along [901] arises as a result of charge-assisted secondary-ammonium-N-H?O(carboxyl-ate) and hy-droxy-O-H?O(carboxyl-ate) hydrogen-bonding. These are connected by methyl-ene- and methyl-C-H?O(nitro) and ?-? stacking between benzene rings [inter-centroid separation = 3.5226?(10)?Å]. Finally, double-layers parallel to (100) sustained by charge-assisted ammonium-N-H?O(carboxyl-ate), ammonium-N-H?O(hy-droxy) and hy-droxy-O-H?O(carboxyl-ate) hydrogen-bonds are apparent in the crystal of (III). These are connected in a three-dimensional architecture by amine-N-H?O(nitro) hydrogen-bonds.

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Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclo-hexa-1,4-dien-1-yl)hepta-noate 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium monohydrate: a new solid form of seratrodast.

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2-Methyl-propan-2-aminium 4-hy-droxy-benzoate.

Project description:In the crystal of the title mol-ecular salt, C(4)H(12)N(+)·C(7)H(5)O(3) (-), the cation is linked to three nearby anions by N-H⋯O hydrogen bonds. An O-H⋯O hydrogen bond between anions further consolidates the packing.

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1,3-Dihydr-oxy-2-(hydroxy-meth-yl)propan-2-aminium 2,2-dichloro-acetate.

Project description:The title compound, C(4)H(12)NO(3) (+)·C(2)HCl(2)O(2) (-), was obtained from dichloro-acetic acid and 2-amino-2-(hydroxy-meth-yl)propane-1,3-diol. In the crystal structure, the cations and anions are connected by inter-molecular N-H?O and O-H?O hydrogen bonding, forming a two-dimensional array parallel to (001). The crystal used for analysis was a merohedral twin, as indicated by the Flack parameter of 0.67?(6).

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N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium 4-methyl-benzoate.

Project description:The title compound, C(11)H(17)ClNO(+)·C(8)H(7)O(2) (-), was obtained by the reaction of chlorprenaline {or 1-(2-chloro-phen-yl)-2-[(1-methyl-eth-yl)amino]-ethanol} and p-toluic acid. The chlorpren-aline is twisted moderately with a C-C-C-C torsion angle of 109.6 (2)°. The two mol-ecules are linked by classical O-H⋯O and N-H⋯O hydrogen bonds. Further N-H⋯O hydrogen bonds link two of these units into dimers.

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Poly[μ-(1,3-dihy-droxy-propan-2-olato)-potassium].

Project description:The asymmetric unit of the title compound, [K(C(3)H(7)O(3))](n) or K[H(2)gl](n), common name potassium glycerolate, contains half the K(+) cation and half of the glycerolate anion. The other half of the anion is generated through a mirror plane passing through the K atom, and a C, an H and an O atom of the glycerolate ligand. The K(+) ion is coordinated by the O atoms of the OH groups, leading to a six-membered chelate ring that adopts a very distorted boat conformation. The negatively charged O atom of the glycerolate anion, [H(2)gl(-)], is found in the flagpole position and forms an ionic bond with the K(+) ion. The O atoms of the hydroxo groups are coordinated to two K(+) ions, whereas the negatively charged O atom is bonded to one K(+) ion. The K(+) ion is coordinated by three other symmetry-related monodentate H(2)gl(-) ligands, so that each H(2)gl(-) ligand is bonded to two K(+) ions, and the potassium has a seven-coordinate environment. The H(2)gl(-) ligands are connected via a strong O-H⋯O hydrogen bond and, together with the K⋯O inter-connections, form polymeric sheets which propagate in the directions of the a and b axes.

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(R)-N-(Ferrocenylmeth-yl)-1-hy-droxy-3-phenyl-propan-2-aminium (E)-but-2-enoate.

Project description:The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxyl-ate ions, which associate into infinite chains parallel to [100] by means of N-H⋯O and O-H⋯O inter-actions. These chains are further cross-linked into a three-dimensional network by additional C-H⋯O contacts and by offset π-π stacking inter-actions of inversion-related aromatic rings [centroid-centroid distance = 3.7040 (14) Å]. The mol-ecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl β-amino-alcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxyl-ate unit and the butenyl group (the latter being planar within ca. 0.002 Å), which are mutually rotated by 30.3 (4)°.

| S-EPMC3247540 | biostudies-literature

Tetra-?(2)-acetato-diaqua-bis-(?(2)-2-{[1,3-dihy-droxy-2-(oxidometh-yl)propan-2-yl]imino-meth-yl}phenolato)trimanganese(II,III) acetonitrile disolvate dihydrate.

Project description:In the title complex, [Mn(II)Mn(III) (2)(C(11)H(13)NO(4))(2)(CH(3)CO(2))(4)(H(2)O)(2)]·2CH(3)CN·2H(2)O, there are two Mn(III) and one Mn(II) atoms. The Mn(II) atom lies on an inversion center and the Mn(III)-Mn(II)-Mn(III) angle is therefore 180°, as required by crystallographic symmetry. The Mn(III) and Mn(II) atoms are six-coordinated in a distorted octa-hedral geometry. In the crystal, complex mol-ecules and solvent mol-ecules are linked into a three-dimensional network by O-H?O and O-H?N hydrogen-bonding inter-actions.

| S-EPMC3212170 | biostudies-literature

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