197 research outputs found
(5Z)-5-(2-Hydroxybenzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
In the title compound, C16H11NO2S2, the dihedral angles between the heterocyclic ring and the phenyl and anilinic benzene rings are 9.68 (13) and 79.26 (6)°, respectively, and an intramolecular C—H⋯S interaction occurs. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds occur, leading to R
2
2(10) loops, and C—H⋯O and weak C—H⋯π interactions further consolidate the packing
(5Z)-5-(2-Methylbenzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
In the title compound, C17H13NOS2, the heterocyclic ring is oriented at a dihedral angle of 74.43 (5)° with respect to the anilinic benzene ring and at a dihedral angle of 17.31 (9)° with respect to phenyl ring. An intramolecular C—H⋯S interaction occurs, resulting in an S(6) ring. In the crystal, the packing is consolidated by C—H⋯π interactions and possible very weak aromatic π–π stacking [centroid–centroid separation = 4.025 (1) Å]
HadISD: a quality-controlled global synoptic report database for selected variables at long-term stations from 1973--2011
[Abridged] This paper describes the creation of HadISD: an automatically
quality-controlled synoptic resolution dataset of temperature, dewpoint
temperature, sea-level pressure, wind speed, wind direction and cloud cover
from global weather stations for 1973--2011. The full dataset consists of over
6000 stations, with 3427 long-term stations deemed to have sufficient sampling
and quality for climate applications requiring sub-daily resolution. As with
other surface datasets, coverage is heavily skewed towards Northern Hemisphere
mid-latitudes.
The dataset is constructed from a large pre-existing ASCII flatfile data bank
that represents over a decade of substantial effort at data retrieval,
reformatting and provision. These raw data have had varying levels of quality
control applied to them by individual data providers. The work proceeded in
several steps: merging stations with multiple reporting identifiers;
reformatting to netCDF; quality control; and then filtering to form a final
dataset. Particular attention has been paid to maintaining true extreme values
where possible within an automated, objective process. Detailed validation has
been performed on a subset of global stations and also on UK data using known
extreme events to help finalise the QC tests. Further validation was performed
on a selection of extreme events world-wide (Hurricane Katrina in 2005, the
cold snap in Alaska in 1989 and heat waves in SE Australia in 2009). Although
the filtering has removed the poorest station records, no attempt has been made
to homogenise the data thus far. Hence non-climatic, time-varying errors may
still exist in many of the individual station records and care is needed in
inferring long-term trends from these data.
A version-control system has been constructed for this dataset to allow for
the clear documentation of any updates and corrections in the future.Comment: Published in Climate of the Past, www.clim-past.net/8/1649/2012/. 31
pages, 23 figures, 9 pages. For data see
http://www.metoffice.gov.uk/hadobs/hadis
3-(3-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
In the title compound, C10H9NOS2, the dihedral angle between the rhodanine (2-thioxo-1,3-thiazolidin-4-one) and 3-methylphenyl rings is 83.30 (3)°. The H atoms of the methyl group are disordered over two set of sites with an occupancy ratio of 0.58 (3):0.42 (3). In the crystal, the molecules interact by way of C—H⋯π and C=O⋯π interactions
(5E)-5-(4-Hydroxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one methanol monosolvate
In the title compound, C11H9NO3S2·CH4O, the dihedral angle between the aromatic rings is 3.57 (16)° and intramolecular O—H⋯O and C—H⋯S interactions occur. In the crystal, the thiazolidin-4-one molecules are linked by N—H⋯O hydrogen bonds, forming chains. The hydrogen-bond motifs lead to S(5), S(6) and R
3
3(8) ring motifs. There exist C=O⋯π interactions between the heterocyclic rings and π–π interactions between the heterocyclic and benzene rings at distances of 3.455 (2) and 3.602 (2) Å, respectively. The methanol solvent molecule is disordered over two sets of sites in a 0.542 (9):0.458 (9) ratio
(5Z)-5-(2-Hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one methanol hemisolvate
In the title compound, C10H7NO2S2·0.5CH3OH, the dihedral angle between the aromatic rings is 11.43 (11)° and a short intramolecular C—H⋯S contact occurs. The methanol solvent molecule is equally disordered over two sets of sites. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds occur. The methanol solvent molecule connects the dimers through O—H⋯S and O—H⋯O intermolecular hydrogen bonds. Further stability is afforded by C—H⋯π and π–π interactions [centroid–centroid separation = 3.5948 (13) Å]
3-Benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
In the title molecule, C17H13NOS2, the essentially planar thiazole ring (r.m.s deviation 0.005 Å) forms dihedral angles of 16.85 (8)° and 75.02 (8)° with the phenyl rings. The dihedral angle between the two phenyl rings is 61.95 (9)°
Phenyl N-(2-methylphenyl)carbamate
In the title compound, C14H13NO2, the aromatic rings attached to the O and N atoms make dihedral angles of 62.65 (9) and 38.28 (11)°, respectively, with the central carbamate group. The benzene rings are oriented at a dihedral angle of 39.22 (10)°. In the crystal, a very weak C—H⋯π interaction occurs
3-Acetyl-1-(3-chlorophenyl)thiourea
In the title compound, C9H9ClN2OS, the 3-chlorophenyl and acetylthiourea fragments are oriented at a dihedral angle of 62.68 (5)°. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. Molecules are linked into dimers via a cyclic R
2
2(8) motif of N—H⋯S hydrogen bonds. These dimers are further connected through C—H⋯S interactions, completing an R
2
2(12) motif, into chains along [010]
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