Crystallography Open Database

Information card for entry 2021597

2021596 << 2021597 >> 2021598

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Structure parameters

Common name	tolazamide
Chemical name	1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide
Formula	C14 H21 N3 O3 S
Calculated formula	C14 H21 N3 O3 S
Title of publication	Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study
Authors of publication	Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	5
Pages of publication	598 - 608
a	6.3453 ± 0.0003 Å
b	9.1929 ± 0.0005 Å
c	13.4917 ± 0.0007 Å
α	79.103 ± 0.005°
β	87.266 ± 0.004°
γ	85.857 ± 0.005°
Cell volume	770.32 ± 0.07 Å³
Cell temperature	275 ± 0.14 K
Ambient diffraction temperature	275 ± 0.14 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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