The title compound, C22H23BrN4O3S2, crystallizes with two molecules, A and B, in the asymmetric unit. In one of these, the methoxy group is disordered over two sets of sites in a 0.565 (9):0.435 (9) ratio. The benzene rings bridged by the sulfonamide group are tilted relative to each other by 37.4 (1) and 56.1 (1)° in molecules A and B, respectively, while the dihedral angles between the sulfur-bridged pyrimidine and benzene rings are 72.4 (1) and 70.2 (1)° for A and B, respectively. The piperidine ring adopts a chair conformation in both molecules. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds occur for both A and B; the dimers are linked into [010] chains by C—H⋯O hydrogen bonds. The crystal structure also features inversion-generated aromatic π–π stacking interactions between the pyrimidine rings for both molecules [centroid–centroid distances = 3.412 (2) (molecule A) and 3.396 (2) Å (molecule B)].
doi:10.1107/S1600536812043668
PMCID: PMC3515297
PMID: 23284517
In the title compound, C9H7NO, the benzene ring forms a dihedral angle of 3.98 (12)° with the pyrrole ring. In the crystal, N–H⋯O hydrogen bonds links the molecules into chains which run parallel to [02-1].
doi:10.1107/S1600536812040573
PMCID: PMC3515237
PMID: 23284457
In the title compound, C24H27BrN4O4S2, the molecule is twisted at the sulfonyl S atom with a C—S(O2)—N(H)—C torsion angle of 62.6 (3)°. The benzene rings bridged by the sulfonamide group are tilted to each other by a dihedral angle of 60.6 (1)°. The dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 62.7 (1)°. The morpholine ring adopts a chair conformation. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 2,4,6-trimethylbenzene rings [centroid–centroid distance = 3.793 (2) Å]. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into a chain along the b axis.
doi:10.1107/S1600536812040792
PMCID: PMC3515169
PMID: 23284396
In the title compound, C12H11N3OS, the dihedral angle between the pyridine and thiophene rings is 46.70 (9)° and the C—N—N—C torsion angle is 178.61 (15)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R
2
2(8) loops.
doi:10.1107/S1600536812039426
PMCID: PMC3470339
PMID: 23125752
In the title compound, C23H25BrN4O3S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 69.7 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 70.4 (1)°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 4-methyl benzene rings [centroid–centroid distance = 3.633 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, molecules are linked into inversion dimers by pairs of N—H⋯O hydrogen bonds.
doi:10.1107/S1600536812037257
PMCID: PMC3470193
PMID: 23125637
In the title compound, C21H20BrClN4O4S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by a dihedral angle of 70.2 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.5 (1)°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 4-chlorobenzene rings [centroid–centroid distance = 3.978 (2) Å]. The morpholine ring adopts a chair conformation. In the crystal, molecules are linked into inversion dimers by pairs of C—H⋯N hydrogen bonds and these dimers are further connected by N—H⋯O hydrogen bonds, forming a tape along the a axis.
doi:10.1107/S1600536812036689
PMCID: PMC3435827
PMID: 22969673
In the title compound, C25H29BrN4O3S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 63.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 64.9 (1)°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 2,4,6-trimethylbenzene rings [centroid–centroid distance = 3.766 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, molecules are linked into inversion dimers by pairs of N—H⋯O hydrogen bonds and these dimers are further linked by C—H⋯O hydrogen bonds into chains propagating along [010].
doi:10.1107/S1600536812036185
PMCID: PMC3435802
PMID: 22969648
In the title compound, C22H23BrN4O4S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7 (1)°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 4-methylbenzene rings [centroid–centroid distance = 3.934 (2) Å]. The morpholine ring adopts a chair conformation and is disordered over two positions with an occupancy ratio of 0.853 (6):0.147 (6). In the crystal, molecules are linked by N—H⋯O hydrogen bonds into chains extending along the a axis and further, through C—H⋯N and C—H⋯O interactions, into a three-dimensional supramolecular structure.
doi:10.1107/S1600536812033375
PMCID: PMC3415028
PMID: 22905015
The knowledge of variations in root canal morphology is critical for a successful endodontic treatment. This article presents the endodontic management of a unique case of mandibular molar with middle distal canal which is quite uncommon.
doi:10.1155/2012/458079
PMCID: PMC3362822
PMID: 22666613
In the title compound, C17H16O2, the dihedral angle between the aromatic rings is 5.12 (13)° and an intramolecular O—H⋯O hydrogen bond generates an S(6) ring.
doi:10.1107/S1600536811018381
PMCID: PMC3120591
PMID: 21754860
In the title compound, C15H13ClN4O, which is a chloro derivative of the drug Nevirapine, the diazepine ring is in a twisted boat conformation. The pyridine rings fused to the diazepine fragment form a dihedral angle of 58.44 (10)° and the molecule adopts a butterfly shape. The molecules are joined via N—H⋯N hydrogen bonding into polymeric chains down the b axis. All weaker C—H⋯O interactions involve the carbonyl O atom as acceptor.
doi:10.1107/S1600536811018022
PMCID: PMC3120426
PMID: 21754822
The molecule of the title compound, C17H16O3, exists in the E conformation with respect to the central C=C bond, is almost planar(r.m.s. deviation = 0.003 Å) and has an intramolecular O—H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, molecules are linked by C—H⋯O interactions.
doi:10.1107/S1600536811007586
PMCID: PMC3100019
PMID: 21754113
In the title compound, C16H11F3N2O2, the carboxamide group connecting the two aromatic rings is in a syn-periplanar configuration; the molecule is non-planar; the dihedral angle between the two aromatic rings is 13.95 (18)°. Intramolecular N—H⋯O and C—H⋯O hydrogen bonds occur. In the crystal, molecules are linked by intermolecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810050269
PMCID: PMC3050277
PMID: 21522699
Malignant melanoma is a neoplasm of epidermal melanocytes. It is one of the most biologically unpredictable and deadly of all human neoplasms. However, malignant melanoma in the oral cavity is a rare malignancy, accounting for 0.2% to 8% of all melanomas. It has a grave prognosis, with a 5 year survival of 10–20%. We present a case of malignant melanoma of lingual gingiva of left mandibular molars with ipsilateral submandibular lymph node metastasis. We performed peripheral osteotomy of primary lesion followed by modified radical neck dissection by sparing internal jugular vein and patient had received postoperative radiotherapy.
doi:10.1007/s12663-009-0070-3
PMCID: PMC3454223
PMID: 23139528
Malignant melanoma; Lymph node metastasis
In the title compound, C17H13F3N2O2, the two aromatic rings are essentially coplanar, forming a dihedral angle of 2.78 (12)°. The non-H atoms of the ethoxy group are coplanar with the attached ring [maximum deviation = 0.271 (3) Å]. An intramolecular N—H⋯O hydrogen bond occurs. In the crystal structure, molecules are linked by intermolecular C—H⋯N and C—H⋯F hydrogen bonds.
doi:10.1107/S1600536810019811
PMCID: PMC3006830
PMID: 21587782
In the structure of the title compound, C15H14O2S, the benzene ring is nearly coplanar with the thiophene ring. The hydroxy group substituted at C2 position is in an antiperiplanar conformation with respect to the phenyl ring. The crystal structure exhibits weak intramolecular O—H⋯O hydrogen bonding.
doi:10.1107/S1600536810017058
PMCID: PMC2979389
PMID: 21579466
In the title compound, C12H10N2O3, the oxygen atom bridging the two aromatic rings is in a synperiplanar (+sp) conformation. The dihedral angle between the aromatic rings is 71.40 (12)°. In the crystal, molecules are linked by intermolecular N—H⋯O hydrogen bonds.
doi:10.1107/S1600536810012237
PMCID: PMC2979503
PMID: 21579359
Background. Most schools in Ibadan, Nigeria, are located near major roads (mobile line sources). We conducted an initial assessment of noise levels and adverse noise-related health and learning effects. Methods. For this descriptive, cross-sectional study, four schools were selected randomly from eight participating in overall project. We administered 200 questionnaires, 50 per school, assessing health and learning-related outcomes. Noise levels (A-weighted decibels, dBA) were measured with calibrated sound level meters. Traffic density was assessed for school with the highest measured dBA. Observational checklists assessed noise control parameters and building physical attributes. Results. Short-term, cross-sectional school-day noise levels ranged 68.3–84.7 dBA. Over 60% of respondents reported that vehicular traffic was major source of noise, and over 70% complained being disturbed by noise. Three schools reported tiredness, and one school lack of concentration, as the most prevalent noise-related health problems. Conclusion. Secondary school occupants in Ibadan, Nigeria were potentially affected by exposure to noise from mobile line sources.
doi:10.1155/2009/739502
PMCID: PMC2779457
PMID: 20041025
Techniques are being developed to image viscoelastic features of soft tissues from time-varying strain. A compress-hold-release stress stimulus commonly used in creep-recovery measurements is applied to samples to form images of elastic strain and strain retardance times. While the intended application is diagnostic breast imaging, results in gelatin hydrogels are presented to demonstrate the techniques. The spatiotemporal behaviour of gelatin is described by linear viscoelastic theory formulated for polymeric solids. Measured creep responses of polymers are frequently modelled as sums of exponentials whose time constants describe the delay or retardation of the full strain response. We found the spectrum of retardation times τ to be continuous and bimodal, where the amplitude at each τ represents the relative number of molecular bonds with a given strength and conformation. Such spectra indicate that the molecular weight of the polymer fibres between bonding points is large. Imaging parameters are found by summarizing these complex spectral distributions at each location in the medium with a second-order Voigt rheological model. This simplification reduces the dimensionality of the data for selecting imaging parameters while preserving essential information on how the creeping deformation describes fluid flow and collagen matrix restructuring in the medium. The focus of this paper is on imaging parameter estimation from ultrasonic echo data, and how jitter from hand-held force applicators used for clinical applications propagate through the imaging chain to generate image noise.
doi:10.1088/0031-9155/52/9/007
PMCID: PMC2713776
PMID: 17440244
In the crystal structure of the title compound, C26H32ClNO8, the piperidine ring is in a twist-chair conformation, with puckering parameters Q = 0.655 (4) Å, θ = 93.1 (1) and ϕ = 254.4 (3)°. The ortho C atoms of the piperidine ring deviate from the plane defined by the remaining ring atoms by 0.380 (3) and −0.250 (3) Å.
doi:10.1107/S1600536809015864
PMCID: PMC2969802
PMID: 21583104
In the crystal structure of the title compound, C22H21Cl2NO2, the piperidinone ring is in a boat conformation.
doi:10.1107/S1600536809010472
PMCID: PMC2977691
PMID: 21583827
The title compound, C23H23ClN2O2S, was synthesized by the nucleophilic substitution of 1-benzhydrylpiperazine with 4-chlorophenylsulfonyl chloride. The piperazine ring is in a chair conformation. The geometry around the S atom is that of a distorted tetrahedron. There is a large range of bond angles around the piperazine N atoms. The dihedral angle between the least-squares plane (p1) defined by the four coplanar C atoms of the piperazine ring and the benzene ring is 81.6 (1)°. The dihedral angles between p1 and the phenyl rings are 76.2 (1) and 72.9 (2)°. The two phenyl rings make a dihedral angle of 65.9 (1)°. Intramolecular C—H⋯O hydrogen bonds are present.
doi:10.1107/S1600536807067888
PMCID: PMC2960354
PMID: 21201390
PMCID: PMC85181
PMID: 10408961
We report a case of wheeze in a heart transplant patient who was receiving chemotherapy for a transplant-associated lymphoma. The patient was in severe respiratory distress; there were no radiological abnormalities. A diagnosis of invasive bronchopulmonary aspergillosis was made by bronchoscopy and bronchoalveolar lavage. Despite prompt antifungal therapy the patient died. Wheeze in a non-asthmatic immunocompromised patient, even in the absence of radiological abnormalities, is highly suggestive of invasive bronchopulmonary aspergillosis. Diagnosis is best established by bronchoscopy and examination of the fluid obtained by bronchoalveolar lavage; currently the response to treatment is often disappointing.
Images
PMCID: PMC2398138
PMID: 7644405
PMCID: PMC2665621
PMID: 9492696