3-(9H-Carbazol-9-yl)propan-1-ol.

doi:10.1107/S1600536810051809

Journal Article•DOI•

3-(9H-Carbazol-9-yl)propan-1-ol.

N. Haridharan¹, Venkatachalam Ramkumar¹, Raghavachari Dhamodharan¹•Institutions (1)

01 Jan 2011-Acta Crystallographica Section E-structure Reports Online (International Union of Crystallography)-Vol. 67, Iss: 1

TL;DR: In the title compound, C15H15NO, the dihedral angle between the benzene rings is 2.25 (2)°, and the O-bonded H atom is disordered over two sites of equal occupancy.

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Abstract: In the title compound, C15H15NO, the dihedral angle between the benzene rings is 2.25 (2)°. The C—C—C—O atoms of the propanol side chain are in a gauche conformation [torsion angle = −60.5 (2)°]. In the crystal, O—H⋯O hydrogen bonds link the molecules into C(2) chains propagating in [100]. The O-bonded H atom is disordered over two sites of equal occupancy.

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Journal Article•DOI•

A short history of SHELX

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George M. Sheldrick¹•Institutions (1)

University of Göttingen¹

01 Jan 2008-Acta Crystallographica Section A

TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.

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Abstract: An account is given of the development of the SHELX system of computer programs from SHELX-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in SHELX, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long. SHELXL is the most widely used program for small-molecule refinement and SHELXS and SHELXD are often employed for structure solution despite the availability of objectively superior programs. SHELXL also finds a niche for the refinement of macromolecules against high-resolution or twinned data; SHELXPRO acts as an interface for macromolecular applications. SHELXC, SHELXD and SHELXE are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for high-throughput phasing. This paper could serve as a general literature citation when one or more of the open-source SHELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.

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81,116 citations

"3-(9H-Carbazol-9-yl)propan-1-ol." refers methods in this paper

...…cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97....
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...Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97....
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...Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to…...
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Journal Article•DOI•

ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)

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Louis J. Farrugia¹•Institutions (1)

University of Glasgow¹

01 Oct 1997-Journal of Applied Crystallography

TL;DR: L Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.

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Abstract: Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)

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19,468 citations

"3-(9H-Carbazol-9-yl)propan-1-ol." refers methods in this paper

...…cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97....
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...Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97....
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Journal Article•DOI•

9-Meth-oxy-5-phenyl-sulfonyl-5H-benzo[b]carbazole.

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G. Chakkaravarthi, Vasudevan Dhayalan¹, Arasambattu K. Mohanakrishnan¹, V. Manivannan²•Institutions (2)

University of Madras¹, Presidency University, Kolkata²

01 Sep 2008-Acta Crystallographica Section E-structure Reports Online

TL;DR: In the title compound, C23H17NO3S, the mean plane of the benzo[b]carbazole ring system makes a dihedral angle of 77.17 (4)° with the phenyl ring.

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Abstract: In the title compound, C23H17NO3S, the mean plane of the benzo[b]carbazole ring system makes a dihedral angle of 77.17 (4)° with the phenyl ring. The S atom is in a distorted tetrahedral configuration. There are three intramolecular C—H⋯O interactions forming five- and six-membered rings with graph-set motifs S(5) and S(6), respectively.

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8 citations

"3-(9H-Carbazol-9-yl)propan-1-ol." refers background in this paper

...It is an important heterocyclic aromatic compound in which the alcohol group is used as a linker for the preparation of various carbazole derivatives (Murugavel et al. 2009; Chakkaravarthi et al. 2008)....
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...Related literature For applications of the title compound, see: Chakkaravarthi et al. (2008); Murugavel et al. (2009)....
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Journal Article•DOI•

9-Benzyl-9H-carbazole.

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Nesimi Uludag¹, Murat Ates¹, Barış Tercan², Emel Ermiş³, Tuncer Hökelek⁴ - Show less +1 more•Institutions (4)

Namik Kemal University¹, Karabük University², Anadolu University³, Hacettepe University⁴

01 May 2010-Acta Crystallographica Section E-structure Reports Online

TL;DR: The asymmetric unit of the title compound, C19H15N, contains two crystallographically independent molecules that are oriented with respect to the adjacent benzene rings, at dihedral angles of 85.29”(8) and 89.89 (7)°.

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Abstract: The asymmetric unit of the title compound, C19H15N, contains two crystallographically independent molecules. In both molecules, the planar carbazole moieties [maximum deviations = 0.037 (4) and 0.042 (3) A] are oriented with respect to the adjacent benzene rings, at dihedral angles of 85.29 (8) and 89.89 (7)°, respectively. In the crystal structure, weak C—H⋯π interactions are observed involving the carbazole rings.

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5 citations

"3-(9H-Carbazol-9-yl)propan-1-ol." refers background in this paper

...It has a tricyclic structure, consisting of two six-membered benzene ring fused on either side of a five-membered nitrogen-containing ring (Uludağ et al. 2010; Chen et al. 2009)....
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...For related structures, see: Chen et al. (2009); Uludağ et al. (2010) Experimental Crystal data C15H15NO Mr = 225.28 Monoclinic, P21=n a = 5.2930 (6) Å b = 12.5935 (16) Å c = 17.954 (2) Å = 97.778 (6) V = 1185.8 (3) Å3 Z = 4 Mo K radiation = 0.08 mm 1 T = 298 K 0.32 0.20 0.18 mm Data…...
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Journal Article•DOI•

9-Butyl-9H-carbazole.

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Lei Chen¹, Wei Cheng¹, Guangliang Song¹, Hongjun Zhu¹•Institutions (1)

Nanjing Tech University¹

01 Mar 2009-Acta Crystallographica Section E-structure Reports Online

TL;DR: The title compound, C16H17N, is a carbazole derivative that has been designed and synthesized as a potential organic electronic device, such as an OLED, with no classical hydrogen bonds observed in the crystal structure.

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Abstract: The title compound, C16H17N, is a carbazole derivative that has been designed and synthesized as a potential organic electronic device, such as an OLED. The tricyclic aromatic ring system is essentially planar, the two outer rings making a dihedral angle of 4.8 (1)°. No classical hydrogen bonds are observed in the crystal structure.

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4 citations

"3-(9H-Carbazol-9-yl)propan-1-ol." refers background in this paper

...It has a tricyclic structure, consisting of two six-membered benzene ring fused on either side of a five-membered nitrogen-containing ring (Uludağ et al. 2010; Chen et al. 2009)....
[...]
...For related structures, see: Chen et al. (2009); Uludağ et al. (2010) Experimental Crystal data C15H15NO Mr = 225.28 Monoclinic, P21=n a = 5.2930 (6) Å b = 12.5935 (16) Å c = 17.954 (2) Å = 97.778 (6) V = 1185.8 (3) Å3 Z = 4 Mo K radiation = 0.08 mm 1 T = 298 K 0.32 0.20 0.18 mm Data…...
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3-(9H-Carbazol-9-yl)propan-1-ol.

References

"3-(9H-Carbazol-9-yl)propan-1-ol." refers methods in this paper

"3-(9H-Carbazol-9-yl)propan-1-ol." refers methods in this paper

"3-(9H-Carbazol-9-yl)propan-1-ol." refers background in this paper

"3-(9H-Carbazol-9-yl)propan-1-ol." refers background in this paper

"3-(9H-Carbazol-9-yl)propan-1-ol." refers background in this paper

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